CS-0435311
Cyclobutenediylium, 1-[(5-carboxy-1,3-dihydro-3,3-dimethyl-1-octyl-2H-indol-2-ylidene)methyl]-3-[(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)methyl]-2,4-dihydroxy-, bis(inner salt)
Manufacturer: ChemScene
CAS Number: 951248-19-4
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₇H₄₆N₂O₄
Molecular Weight
582.77
Synonyms
( E )-4-((5-carboxy-3,3-diMethyl-1-octyl-3H-indoliuM-2-yl)Methylene)-2-((E )-(1-ethyl-3,3-diMethylindolin-2-ylidene)Methyl)-3-oxocyclobut-1-enolate
SMILES
[O-]C1[C+](/C=C2N(CC)C3=C(C=CC=C3)C\2(C)C)C([O-])=C1/C=C4N(CCCCCCCC)C5=C(C=C(C([OH2+])=O)C=C5)C/4(C)C
Tpsa
92.57
Logp
5.52639
H Acceptors
5
H Donors
0
Rotatable Bonds
11
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 951248-19-4 | (E )-4-((5-carboxy-3,3-dimethyl-1-octyl-3H-indolium-2-yl)methylene)-2-((E )-(1-ethyl-3,3-dimethylindolin-2-ylidene)methyl)-3-oxocyclobut-1-enolate | A2B Chem | -- |
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₄₆N₂O₄
Molecular Weight: 582.77
Synonyms: ( E )-4-((5-carboxy-3,3-diMethyl-1-octyl-3H-indoliuM-2-yl)Methylene)-2-((E )-(1-ethyl-3,3-diMethylindolin-2-ylidene)Methyl)-3-oxocyclobut-1-enolate
SMILES: [O-]C1[C+](/C=C2N(CC)C3=C(C=CC=C3)C\2(C)C)C([O-])=C1/C=C4N(CCCCCCCC)C5=C(C=C(C([OH2+])=O)C=C5)C/4(C)C
Tpsa: 92.57
Logp: 5.52639
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₆N₂O₄
Molecular Weight:
582.77
Synonyms:
( E )-4-((5-carboxy-3,3-diMethyl-1-octyl-3H-indoliuM-2-yl)Methylene)-2-((E )-(1-ethyl-3,3-diMethylindolin-2-ylidene)Methyl)-3-oxocyclobut-1-enolate
SMILES:
[O-]C1[C+](/C=C2N(CC)C3=C(C=CC=C3)C\2(C)C)C([O-])=C1/C=C4N(CCCCCCCC)C5=C(C=C(C([OH2+])=O)C=C5)C/4(C)C
Tpsa:
92.57
Logp:
5.52639
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₄H₆₀S₃
Molecular Weight: 685.14
Synonyms: None
SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)C2=CC3=C(S2)C4=C(C=C(C5=CC=C(CCCCCCCCCCCC)C=C5)S4)S3
Tpsa: 0
Logp: 16.4383
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 24
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₄H₆₀S₃
Molecular Weight:
685.14
Synonyms:
None
SMILES:
CCCCCCCCCCCCC1=CC=C(C=C1)C2=CC3=C(S2)C4=C(C=C(C5=CC=C(CCCCCCCCCCCC)C=C5)S4)S3
Tpsa:
0
Logp:
16.4383
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
24
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₂₄N₄S₃
Molecular Weight: 512.71
Synonyms: None
SMILES: CCCCC1=C(C2=CC=C(/C=C(C#N)/C#N)S2)SC(C3=CC=C(/C=C(C#N)/C#N)S3)=C1CCCC
Tpsa: 95.16
Logp: 8.75142
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₄N₄S₃
Molecular Weight:
512.71
Synonyms:
None
SMILES:
CCCCC1=C(C2=CC=C(/C=C(C#N)/C#N)S2)SC(C3=CC=C(/C=C(C#N)/C#N)S3)=C1CCCC
Tpsa:
95.16
Logp:
8.75142
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
10
Purity: 95+%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₂H₃₄
Molecular Weight: 658.83
Synonyms: 9-(4-Phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
SMILES: C1(C2=CC=C(C3=C4C=CC=CC4=C(C5=C6C=CC=CC6=C(C7=CC=C(C8=CC=CC=C8)C=C7)C9=C5C=CC=C9)C%10=C3C=CC=C%10)C=C2)=CC=CC=C1
Tpsa: 0
Logp: 14.6344
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 5
Purity:
95+%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₂H₃₄
Molecular Weight:
658.83
Synonyms:
9-(4-Phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
SMILES:
C1(C2=CC=C(C3=C4C=CC=CC4=C(C5=C6C=CC=CC6=C(C7=CC=C(C8=CC=CC=C8)C=C7)C9=C5C=CC=C9)C%10=C3C=CC=C%10)C=C2)=CC=CC=C1
Tpsa:
0
Logp:
14.6344
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
5