7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol

C42H27N3O — CID 136502686

About 7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol

7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol (PubChem CID 136502686) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is 7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol.

Molecular Properties

• Compound Name: 7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
• PubChem CID: 136502686
• Molecular Formula: C42H27N3O
• Molecular Weight: 589.70 g/mol
• Exact Mass: 589.22
• IUPAC Name: 7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
• SMILES: Oc1c(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)ccc2cccnc12
• InChI: InChI=1S/C42H27N3O/c46-41-35(25-24-28-11-10-26-43-40(28)41)39-33-16-6-4-14-31(33)38(32-15-5-7-17-34(32)39)27-20-22-29(23-21-27)42-44-36-18-8-9-19-37(36)45(42)30-12-2-1-3-13-30/h1-26,46H
• InChIKey: YLYIKTMOHLFVPN-UHFFFAOYSA-N
• XLogP: 10.59
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.70
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?

The IUPAC name of 7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol (CID 136502686) is 7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol.

What is the SMILES notation for 7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?

The canonical SMILES for 7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol is Oc1c(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)ccc2cccnc12.

What is the InChIKey of 7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?

The InChIKey is YLYIKTMOHLFVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c46-41-35(25-24-28-11-10-26-43-40(28)41)39-33-16-6-4-14-31(33)38(32-15-5-7-17-34(32)39)27-20-22-29(23-21-27)42-44-36-18-8-9-19-37(36)45(42)30-12-2-1-3-13-30/h1-26,46H.

What are the key properties of 7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?

7-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-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-[10-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol is sourced from PubChem (CID 136502686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).