AB54675
957111-25-0 | (1S)-3,3'-Di(phenanthren-9-yl)-1,1'-binaphthyl-2,2'-diol
Manufacturer: A2B Chem
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CatalogNumber
AB54675
ChemicalName
(1S)-3,3'-Di(phenanthren-9-yl)-1,1'-binaphthyl-2,2'-diol
CasNumber
957111-25-0
MolecularFormula
C48H30O2
MolecularWeight
638.7506
MdlNumber
MFCD09027269
Smiles
Oc1c(c2c3ccccc3cc(c2O)c2cc3ccccc3c3c2cccc3)c2ccccc2cc1c1cc2ccccc2c2c1cccc2
Complexity
1060
Covalently-bondedUnitCount
1
HeavyAtomCount
50
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
13.6
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CatalogNumber: AB54675
ChemicalName: (1S)-3,3'-Di(phenanthren-9-yl)-1,1'-binaphthyl-2,2'-diol
CasNumber: 957111-25-0
MolecularFormula: C48H30O2
MolecularWeight: 638.7506
MdlNumber: MFCD09027269
Smiles: Oc1c(c2c3ccccc3cc(c2O)c2cc3ccccc3c3c2cccc3)c2ccccc2cc1c1cc2ccccc2c2c1cccc2
Complexity: 1060
Covalently-bondedUnitCount: 1
HeavyAtomCount: 50
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 13.6
CatalogNumber:
AB54675
ChemicalName:
(1S)-3,3'-Di(phenanthren-9-yl)-1,1'-binaphthyl-2,2'-diol
CasNumber:
957111-25-0
MolecularFormula:
C48H30O2
MolecularWeight:
638.7506
MdlNumber:
MFCD09027269
Smiles:
Oc1c(c2c3ccccc3cc(c2O)c2cc3ccccc3c3c2cccc3)c2ccccc2cc1c1cc2ccccc2c2c1cccc2
Complexity:
1060
Covalently-bondedUnitCount:
1
HeavyAtomCount:
50
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
13.6
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Smiles: C1=CC=C(C(=C1)C(C(C2=CC=CC=C2Cl)N)N)Cl.Cl.Cl
Complexity: __
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Smiles:
C1=CC=C(C(=C1)C(C(C2=CC=CC=C2Cl)N)N)Cl.Cl.Cl
Complexity:
__
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__
HeavyAtomCount:
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RotatableBondCount:
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Smiles: NC(C(c1ccc(cc1)[N+](=O)[O-])N)c1ccc(cc1)[N+](=O)[O-].Cl.Cl
Complexity: __
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Smiles:
NC(C(c1ccc(cc1)[N+](=O)[O-])N)c1ccc(cc1)[N+](=O)[O-].Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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__
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Smiles: N[C@@H](c1cccc2c1cccc2)[C@H](c1cccc2c1cccc2)N.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H](c1cccc2c1cccc2)[C@H](c1cccc2c1cccc2)N.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__