6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline

C48H32N2 — CID 70958981

About 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline

6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline (PubChem CID 70958981) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline.

Molecular Properties

• Compound Name: 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline
• PubChem CID: 70958981
• Molecular Formula: C48H32N2
• Molecular Weight: 636.80 g/mol
• Exact Mass: 636.26
• IUPAC Name: 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cc5c(-c6ccccc6)cc(-c6ccccc6)nc5c5ccccc45)cc3)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C48H32N2/c1-5-15-34(16-6-1)43-32-47(38-21-11-4-12-22-38)50-48-41-24-14-13-23-40(41)42(31-44(43)48)35-27-25-33(26-28-35)39-29-45(36-17-7-2-8-18-36)49-46(30-39)37-19-9-3-10-20-37/h1-32H
• InChIKey: RMALQZGRZIOLKP-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.80
LogP ≤ 5	12.78
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-diphenylbenzo[h]quinoline?

The IUPAC name of 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline (CID 70958981) is 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline.

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

The canonical SMILES for 6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline is c1ccc(-c2cc(-c3ccc(-c4cc5c(-c6ccccc6)cc(-c6ccccc6)nc5c5ccccc45)cc3)cc(-c3ccccc3)n2)cc1.

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

The InChIKey is RMALQZGRZIOLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-5-15-34(16-6-1)43-32-47(38-21-11-4-12-22-38)50-48-41-24-14-13-23-40(41)42(31-44(43)48)35-27-25-33(26-28-35)39-29-45(36-17-7-2-8-18-36)49-46(30-39)37-19-9-3-10-20-37/h1-32H.

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

6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline has a molecular weight of 636.80 g/mol, XLogP of 12.78, 6 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-diphenylbenzo[h]quinoline is sourced from PubChem (CID 70958981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).