7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol

C42H27N3O — CID 89211645

IUPAC7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol
SMILESOc1c(-c2cccc3cc4c(-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)cccc4cc23)ccc2cccnc12
InChIInChI=1S/C42H27N3O/c46-41-35(22-21-27-14-9-23-43-40(27)41)34-18-8-12-30-25-36-29(26-37(30)34)11-7-17-33(36)28-10-6-13-31(24-28)42-44-38-19-4-5-20-39(38)45(42)32-15-2-1-3-16-32/h1-26,46H
InChIKeyOFZFALHVLKTCHO-UHFFFAOYSA-N
MW589.70 g/mol
LogP10.59
Rot. Bonds4

About 7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol

7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol (PubChem CID 89211645) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is 7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol.

Molecular Properties

Compound Name7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol
PubChem CID89211645
Molecular FormulaC42H27N3O
Molecular Weight589.70 g/mol
Exact Mass589.22
IUPAC Name7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol
SMILESOc1c(-c2cccc3cc4c(-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)cccc4cc23)ccc2cccnc12
InChIInChI=1S/C42H27N3O/c46-41-35(22-21-27-14-9-23-43-40(27)41)34-18-8-12-30-25-36-29(26-37(30)34)11-7-17-33(36)28-10-6-13-31(24-28)42-44-38-19-4-5-20-39(38)45(42)32-15-2-1-3-16-32/h1-26,46H
InChIKeyOFZFALHVLKTCHO-UHFFFAOYSA-N
XLogP10.59
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 510.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol?
The IUPAC name of 7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol (CID 89211645) is 7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol.
What is the SMILES notation for 7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol?
The canonical SMILES for 7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol is Oc1c(-c2cccc3cc4c(-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)cccc4cc23)ccc2cccnc12.
What is the InChIKey of 7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol?
The InChIKey is OFZFALHVLKTCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c46-41-35(22-21-27-14-9-23-43-40(27)41)34-18-8-12-30-25-36-29(26-37(30)34)11-7-17-33(36)28-10-6-13-31(24-28)42-44-38-19-4-5-20-39(38)45(42)32-15-2-1-3-16-32/h1-26,46H.
What are the key properties of 7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol?
7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol has a molecular weight of 589.70 g/mol, XLogP of 10.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[3-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol is sourced from PubChem (CID 89211645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).