3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

C61H40N4 — CID 121307195

About 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (PubChem CID 121307195) has the molecular formula C61H40N4 and a molecular weight of 829.02 g/mol. Its IUPAC name is 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
• PubChem CID: 121307195
• Molecular Formula: C61H40N4
• Molecular Weight: 829.02 g/mol
• Exact Mass: 828.33
• IUPAC Name: 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc43)c2)cc1
• InChI: InChI=1S/C61H40N4/c1-4-16-41(17-5-1)46-36-47(42-18-6-2-7-19-42)38-50(37-46)64-57-26-14-11-23-52(57)54-40-45(31-35-59(54)64)44-30-34-58-53(39-44)51-22-10-13-25-56(51)63(58)49-32-28-43(29-33-49)61-62-55-24-12-15-27-60(55)65(61)48-20-8-3-9-21-48/h1-40H
• InChIKey: HVLOJZXUAVWLOJ-UHFFFAOYSA-N
• XLogP: 15.89
• TPSA: 27.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.02
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?

The IUPAC name of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (CID 121307195) is 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.

What is the SMILES notation for 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?

The canonical SMILES for 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc43)c2)cc1.

What is the InChIKey of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?

The InChIKey is HVLOJZXUAVWLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4/c1-4-16-41(17-5-1)46-36-47(42-18-6-2-7-19-42)38-50(37-46)64-57-26-14-11-23-52(57)54-40-45(31-35-59(54)64)44-30-34-58-53(39-44)51-22-10-13-25-56(51)63(58)49-32-28-43(29-33-49)61-62-55-24-12-15-27-60(55)65(61)48-20-8-3-9-21-48/h1-40H.

What are the key properties of 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?

3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole has a molecular weight of 829.02 g/mol, XLogP of 15.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 121307195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).