7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol

C51H32N4O2 — CID 136502638

About 7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol

7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol (PubChem CID 136502638) has the molecular formula C51H32N4O2 and a molecular weight of 732.84 g/mol. Its IUPAC name is 7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol.

Molecular Properties

• Compound Name: 7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
• PubChem CID: 136502638
• Molecular Formula: C51H32N4O2
• Molecular Weight: 732.84 g/mol
• Exact Mass: 732.25
• IUPAC Name: 7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
• SMILES: Oc1c(-c2c3ccccc3c(-c3ccc4cccnc4c3O)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)ccc2cccnc12
• InChI: InChI=1S/C51H32N4O2/c56-49-40(26-22-32-10-8-28-52-47(32)49)45-37-14-4-5-15-38(37)46(41-27-23-33-11-9-29-53-48(33)50(41)57)42-30-35(24-25-39(42)45)31-18-20-34(21-19-31)51-54-43-16-6-7-17-44(43)55(51)36-12-2-1-3-13-36/h1-30,56-57H
• InChIKey: WLAYVALUUJNRON-UHFFFAOYSA-N
• XLogP: 12.51
• TPSA: 84.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.84
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?

The IUPAC name of 7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol (CID 136502638) is 7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol.

What is the SMILES notation for 7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?

The canonical SMILES for 7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol is Oc1c(-c2c3ccccc3c(-c3ccc4cccnc4c3O)c3cc(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)ccc23)ccc2cccnc12.

What is the InChIKey of 7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?

The InChIKey is WLAYVALUUJNRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2/c56-49-40(26-22-32-10-8-28-52-47(32)49)45-37-14-4-5-15-38(37)46(41-27-23-33-11-9-29-53-48(33)50(41)57)42-30-35(24-25-39(42)45)31-18-20-34(21-19-31)51-54-43-16-6-7-17-44(43)55(51)36-12-2-1-3-13-36/h1-30,56-57H.

What are the key properties of 7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol?

7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol has a molecular weight of 732.84 g/mol, XLogP of 12.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[10-(8-hydroxyquinolin-7-yl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol is sourced from PubChem (CID 136502638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).