CS-0564976
4,4',4'',4''',4'''',4'''''-(Dipyrazino[2,3-f:2',3'-h]quinoxaline-2,3,6,7,10,11-hexayl)hexabenzoic acid
Manufacturer: ChemScene
CAS Number: 2182594-10-9
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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
C₅₄H₃₀N₆O₁₂
Molecular Weight
954.85
Synonyms
None
SMILES
O=C(C1=CC=C(C2=C(C3=CC=C(C(O)=O)C=C3)N=C(C4=C(C5=C6N=C(C7=CC=C(C(O)=O)C=C7)C(C8=CC=C(C(O)=O)C=C8)=N5)N=C(C9=CC=C(C(O)=O)C=C9)C(C%10=CC=C(C(O)=O)C=C%10)=N4)C6=N2)C=C1)O
Tpsa
301.14
Logp
9.7074
H Acceptors
12
H Donors
6
Rotatable Bonds
12
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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: C₅₄H₃₀N₆O₁₂
Molecular Weight: 954.85
Synonyms: None
SMILES: O=C(C1=CC=C(C2=C(C3=CC=C(C(O)=O)C=C3)N=C(C4=C(C5=C6N=C(C7=CC=C(C(O)=O)C=C7)C(C8=CC=C(C(O)=O)C=C8)=N5)N=C(C9=CC=C(C(O)=O)C=C9)C(C%10=CC=C(C(O)=O)C=C%10)=N4)C6=N2)C=C1)O
Tpsa: 301.14
Logp: 9.7074
H Acceptors: 12
H Donors: 6
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₄H₃₀N₆O₁₂
Molecular Weight:
954.85
Synonyms:
None
SMILES:
O=C(C1=CC=C(C2=C(C3=CC=C(C(O)=O)C=C3)N=C(C4=C(C5=C6N=C(C7=CC=C(C(O)=O)C=C7)C(C8=CC=C(C(O)=O)C=C8)=N5)N=C(C9=CC=C(C(O)=O)C=C9)C(C%10=CC=C(C(O)=O)C=C%10)=N4)C6=N2)C=C1)O
Tpsa:
301.14
Logp:
9.7074
H Acceptors:
12
H Donors:
6
Rotatable Bonds:
12
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₂₄O₂
Molecular Weight: 452.54
Synonyms: None
SMILES: O=C(C1=CC=C(C2=CC=C(/C(C3=CC=CC=C3)=C(C4=CC=CC=C4)/C5=CC=CC=C5)C=C2)C=C1)O
Tpsa: 37.3
Logp: 8.0592
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₂₄O₂
Molecular Weight:
452.54
Synonyms:
None
SMILES:
O=C(C1=CC=C(C2=CC=C(/C(C3=CC=CC=C3)=C(C4=CC=CC=C4)/C5=CC=CC=C5)C=C2)C=C1)O
Tpsa:
37.3
Logp:
8.0592
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₁H₂₁N₅
Molecular Weight: 463.53
Synonyms: None
SMILES: C1(C2=CC(C3=CC=NC=C3)=CC(C4=CC(C5=CC=CC=N5)=NC(C6=CC=CC=N6)=C4)=C2)=CC=NC=C1
Tpsa: 64.45
Logp: 6.9966
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₂₁N₅
Molecular Weight:
463.53
Synonyms:
None
SMILES:
C1(C2=CC(C3=CC=NC=C3)=CC(C4=CC(C5=CC=CC=N5)=NC(C6=CC=CC=N6)=C4)=C2)=CC=NC=C1
Tpsa:
64.45
Logp:
6.9966
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉₈H₆₂O₁₂
Molecular Weight: 1431.53
Synonyms: None
SMILES: O=C(C1=CC=C(C2=CC=C(C3=C(C4=CC=C(C5=CC=C(C(O)=O)C=C5)C=C4)C=C(C6C7=CC(C8=CC=C(C9=CC=C(C(O)=O)C=C9)C=C8)=C(C%10=CC=C(C%11=CC=C(C(O)=O)C=C%11)C=C%10)C=C7C%12C%13=CC(C%14=CC=C(C%15=CC=C(C(O)=O)C=C%15)C=C%14)=C(C%16=CC=C(C%17=CC=C(C(O)=O)C=C%17)C=C%16)C=C%136)C%12=C3)C=C2)C=C1)O
Tpsa: 223.8
Logp: 22.867
H Acceptors: 6
H Donors: 6
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉₈H₆₂O₁₂
Molecular Weight:
1431.53
Synonyms:
None
SMILES:
O=C(C1=CC=C(C2=CC=C(C3=C(C4=CC=C(C5=CC=C(C(O)=O)C=C5)C=C4)C=C(C6C7=CC(C8=CC=C(C9=CC=C(C(O)=O)C=C9)C=C8)=C(C%10=CC=C(C%11=CC=C(C(O)=O)C=C%11)C=C%10)C=C7C%12C%13=CC(C%14=CC=C(C%15=CC=C(C(O)=O)C=C%15)C=C%14)=C(C%16=CC=C(C%17=CC=C(C(O)=O)C=C%17)C=C%16)C=C%136)C%12=C3)C=C2)C=C1)O
Tpsa:
223.8
Logp:
22.867
H Acceptors:
6
H Donors:
6
Rotatable Bonds:
18