2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole

C50H38N4 — CID 167399526

About 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole

2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole (PubChem CID 167399526) has the molecular formula C50H38N4 and a molecular weight of 694.88 g/mol. Its IUPAC name is 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole
• PubChem CID: 167399526
• Molecular Formula: C50H38N4
• Molecular Weight: 694.88 g/mol
• Exact Mass: 694.31
• IUPAC Name: 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole
• SMILES: Cc1ccnc(-n2c3ccccc3c3ccc(C(c4ccccc4)(c4ccccc4)c4cccc(N5CN(c6ccccc6)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C50H38N4/c1-36-30-31-51-49(32-36)54-45-25-12-11-24-43(45)44-29-28-40(34-48(44)54)50(37-16-5-2-6-17-37,38-18-7-3-8-19-38)39-20-15-23-42(33-39)53-35-52(41-21-9-4-10-22-41)46-26-13-14-27-47(46)53/h2-34H,35H2,1H3
• InChIKey: SGWFNOJOOUEWDO-UHFFFAOYSA-N
• XLogP: 12.12
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.88
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole (CID 167399526) is 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole?

The canonical SMILES for 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole is Cc1ccnc(-n2c3ccccc3c3ccc(C(c4ccccc4)(c4ccccc4)c4cccc(N5CN(c6ccccc6)c6ccccc65)c4)cc32)c1.

What is the InChIKey of 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole?

The InChIKey is SGWFNOJOOUEWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N4/c1-36-30-31-51-49(32-36)54-45-25-12-11-24-43(45)44-29-28-40(34-48(44)54)50(37-16-5-2-6-17-37,38-18-7-3-8-19-38)39-20-15-23-42(33-39)53-35-52(41-21-9-4-10-22-41)46-26-13-14-27-47(46)53/h2-34H,35H2,1H3.

What are the key properties of 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole?

2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole has a molecular weight of 694.88 g/mol, XLogP of 12.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole is sourced from PubChem (CID 167399526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).