2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole

C41H28N6 — CID 153285580

About 2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole

2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole (PubChem CID 153285580) has the molecular formula C41H28N6 and a molecular weight of 604.72 g/mol. Its IUPAC name is 2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole.

Molecular Properties

• Compound Name: 2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
• PubChem CID: 153285580
• Molecular Formula: C41H28N6
• Molecular Weight: 604.72 g/mol
• Exact Mass: 604.24
• IUPAC Name: 2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole
• SMILES: Cn1c(-c2ccc3c4cc(-c5ccccn5)ccc4n(-c4cccc(-c5ccccn5)c4)c3c2)nc2ccc(-c3ccccn3)cc21
• InChI: InChI=1S/C41H28N6/c1-46-40-25-29(36-13-4-7-22-44-36)15-18-37(40)45-41(46)30-14-17-32-33-24-28(35-12-3-6-21-43-35)16-19-38(33)47(39(32)26-30)31-10-8-9-27(23-31)34-11-2-5-20-42-34/h2-26H,1H3
• InChIKey: OPBXSCPZTAUSBR-UHFFFAOYSA-N
• XLogP: 9.52
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.72
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole?

The IUPAC name of 2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole (CID 153285580) is 2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole.

What is the SMILES notation for 2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole?

The canonical SMILES for 2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole is Cn1c(-c2ccc3c4cc(-c5ccccn5)ccc4n(-c4cccc(-c5ccccn5)c4)c3c2)nc2ccc(-c3ccccn3)cc21.

What is the InChIKey of 2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole?

The InChIKey is OPBXSCPZTAUSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N6/c1-46-40-25-29(36-13-4-7-22-44-36)15-18-37(40)45-41(46)30-14-17-32-33-24-28(35-12-3-6-21-43-35)16-19-38(33)47(39(32)26-30)31-10-8-9-27(23-31)34-11-2-5-20-42-34/h2-26H,1H3.

What are the key properties of 2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole?

2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole has a molecular weight of 604.72 g/mol, XLogP of 9.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-6-pyridin-2-yl-9-(3-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 153285580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).