9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

C65H60N4O — CID 163570971

About 9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 163570971) has the molecular formula C65H60N4O and a molecular weight of 913.22 g/mol. Its IUPAC name is 9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 163570971
• Molecular Formula: C65H60N4O
• Molecular Weight: 913.22 g/mol
• Exact Mass: 912.48
• IUPAC Name: 9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: Cc1cc(C)c(N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(-c7c(CC(C)C)cccc7CC(C)C)ccn6)c5c4)cc(-c4ccccc4-c4ccccc4)c3)c3ccccc32)c(C)c1
• InChI: InChI=1S/C65H60N4O/c1-42(2)32-48-20-17-21-49(33-43(3)4)64(48)50-30-31-66-63(38-50)69-59-25-14-13-24-57(59)58-29-28-53(40-62(58)69)70-54-37-51(56-23-12-11-22-55(56)47-18-9-8-10-19-47)36-52(39-54)67-41-68(61-27-16-15-26-60(61)67)65-45(6)34-44(5)35-46(65)7/h8-31,34-40,42-43H,32-33,41H2,1-7H3
• InChIKey: RXIJJMJZFZNUMJ-UHFFFAOYSA-N
• XLogP: 17.54
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.22
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 163570971) is 9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is Cc1cc(C)c(N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(-c7c(CC(C)C)cccc7CC(C)C)ccn6)c5c4)cc(-c4ccccc4-c4ccccc4)c3)c3ccccc32)c(C)c1.

What is the InChIKey of 9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The InChIKey is RXIJJMJZFZNUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H60N4O/c1-42(2)32-48-20-17-21-49(33-43(3)4)64(48)50-30-31-66-63(38-50)69-59-25-14-13-24-57(59)58-29-28-53(40-62(58)69)70-54-37-51(56-23-12-11-22-55(56)47-18-9-8-10-19-47)36-52(39-54)67-41-68(61-27-16-15-26-60(61)67)65-45(6)34-44(5)35-46(65)7/h8-31,34-40,42-43H,32-33,41H2,1-7H3.

What are the key properties of 9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 913.22 g/mol, XLogP of 17.54, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2,6-bis(2-methylpropyl)phenyl]-2-pyridinyl]-2-[3-(2-phenylphenyl)-5-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 163570971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).