8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole

C59H38N2 — CID 121277490

About 8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole

8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole (PubChem CID 121277490) has the molecular formula C59H38N2 and a molecular weight of 774.97 g/mol. Its IUPAC name is 8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
• PubChem CID: 121277490
• Molecular Formula: C59H38N2
• Molecular Weight: 774.97 g/mol
• Exact Mass: 774.30
• IUPAC Name: 8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
• SMILES: c1ccc(-c2ccc(-n3c4ccncc4c4cc(-c5ccc(-c6c7ccccc7c(-c7ccc(-c8ccc9ccccc9c8)cc7)c7ccccc67)cc5)ccc43)cc2)cc1
• InChI: InChI=1S/C59H38N2/c1-2-10-39(11-3-1)41-28-31-49(32-29-41)61-56-33-30-48(37-54(56)55-38-60-35-34-57(55)61)43-20-25-45(26-21-43)59-52-16-8-6-14-50(52)58(51-15-7-9-17-53(51)59)44-23-18-42(19-24-44)47-27-22-40-12-4-5-13-46(40)36-47/h1-38H
• InChIKey: BQABWACSOIAPIH-UHFFFAOYSA-N
• XLogP: 15.97
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.97
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole?

The IUPAC name of 8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole (CID 121277490) is 8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole.

What is the SMILES notation for 8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole?

The canonical SMILES for 8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole is c1ccc(-c2ccc(-n3c4ccncc4c4cc(-c5ccc(-c6c7ccccc7c(-c7ccc(-c8ccc9ccccc9c8)cc7)c7ccccc67)cc5)ccc43)cc2)cc1.

What is the InChIKey of 8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole?

The InChIKey is BQABWACSOIAPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2/c1-2-10-39(11-3-1)41-28-31-49(32-29-41)61-56-33-30-48(37-54(56)55-38-60-35-34-57(55)61)43-20-25-45(26-21-43)59-52-16-8-6-14-50(52)58(51-15-7-9-17-53(51)59)44-23-18-42(19-24-44)47-27-22-40-12-4-5-13-46(40)36-47/h1-38H.

What are the key properties of 8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole?

8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole has a molecular weight of 774.97 g/mol, XLogP of 15.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole is sourced from PubChem (CID 121277490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).