6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline

C60H40N2 — CID 70836400

About 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline

6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline (PubChem CID 70836400) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline.

Molecular Properties

• Compound Name: 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
• PubChem CID: 70836400
• Molecular Formula: C60H40N2
• Molecular Weight: 788.99 g/mol
• Exact Mass: 788.32
• IUPAC Name: 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc5)c5ccccc5c4n3)cc2)cc1
• InChI: InChI=1S/C60H40N2/c1-5-15-41(16-6-1)43-25-31-47(32-26-43)55-40-59(50-35-29-44(30-36-50)42-17-7-2-8-18-42)62-60-53-24-14-13-23-52(53)54(39-56(55)60)46-33-27-45(28-34-46)51-37-57(48-19-9-3-10-20-48)61-58(38-51)49-21-11-4-12-22-49/h1-40H
• InChIKey: QVNAPTZBNISJJZ-UHFFFAOYSA-N
• XLogP: 16.12
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	788.99
LogP ≤ 5	16.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline?

The IUPAC name of 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline (CID 70836400) is 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline.

What is the SMILES notation for 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline?

The canonical SMILES for 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccccc7)c6)cc5)c5ccccc5c4n3)cc2)cc1.

What is the InChIKey of 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline?

The InChIKey is QVNAPTZBNISJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-5-15-41(16-6-1)43-25-31-47(32-26-43)55-40-59(50-35-29-44(30-36-50)42-17-7-2-8-18-42)62-60-53-24-14-13-23-52(53)54(39-56(55)60)46-33-27-45(28-34-46)51-37-57(48-19-9-3-10-20-48)61-58(38-51)49-21-11-4-12-22-49/h1-40H.

What are the key properties of 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline?

6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline has a molecular weight of 788.99 g/mol, XLogP of 16.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline is sourced from PubChem (CID 70836400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).