9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole

C52H33N7 — CID 166019341

About 9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole

9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole (PubChem CID 166019341) has the molecular formula C52H33N7 and a molecular weight of 755.89 g/mol. Its IUPAC name is 9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole
• PubChem CID: 166019341
• Molecular Formula: C52H33N7
• Molecular Weight: 755.89 g/mol
• Exact Mass: 755.28
• IUPAC Name: 9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole
• SMILES: c1ccc(-n2c(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)c3)nc3ccccc32)cc1
• InChI: InChI=1S/C52H33N7/c1-2-16-35(17-3-1)57-49-29-13-8-22-42(49)56-52(57)34-32-43(40-23-14-30-50(54-40)58-45-25-9-4-18-36(45)37-19-5-10-26-46(37)58)53-44(33-34)41-24-15-31-51(55-41)59-47-27-11-6-20-38(47)39-21-7-12-28-48(39)59/h1-33H
• InChIKey: ZJTWCFCIQDLZMU-UHFFFAOYSA-N
• XLogP: 12.41
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.89
LogP ≤ 5	12.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole?

The IUPAC name of 9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole (CID 166019341) is 9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole.

What is the SMILES notation for 9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole?

The canonical SMILES for 9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole is c1ccc(-n2c(-c3cc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)nc(-c4cccc(-n5c6ccccc6c6ccccc65)n4)c3)nc3ccccc32)cc1.

What is the InChIKey of 9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole?

The InChIKey is ZJTWCFCIQDLZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N7/c1-2-16-35(17-3-1)57-49-29-13-8-22-42(49)56-52(57)34-32-43(40-23-14-30-50(54-40)58-45-25-9-4-18-36(45)37-19-5-10-26-46(37)58)53-44(33-34)41-24-15-31-51(55-41)59-47-27-11-6-20-38(47)39-21-7-12-28-48(39)59/h1-33H.

What are the key properties of 9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole?

9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole has a molecular weight of 755.89 g/mol, XLogP of 12.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 166019341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).