9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole

C64H49FN4O — CID 172530270

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 172530270) has the molecular formula C64H49FN4O and a molecular weight of 909.12 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 172530270
• Molecular Formula: C64H49FN4O
• Molecular Weight: 909.12 g/mol
• Exact Mass: 908.39
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc(N5CN(c6ccccc6-c6ccc(F)cc6)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C64H49FN4O/c1-64(2,3)50-32-33-66-63(39-50)69-59-23-13-11-21-56(59)57-31-30-53(41-62(57)69)70-54-38-49(48-35-46(43-16-6-4-7-17-43)34-47(36-48)44-18-8-5-9-19-44)37-52(40-54)67-42-68(61-25-15-14-24-60(61)67)58-22-12-10-20-55(58)45-26-28-51(65)29-27-45/h4-41H,42H2,1-3H3
• InChIKey: QPHUNICWAGOBIY-UHFFFAOYSA-N
• XLogP: 17.32
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.12
LogP ≤ 5	17.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 172530270) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc(N5CN(c6ccccc6-c6ccc(F)cc6)c6ccccc65)c4)cc32)c1.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

The InChIKey is QPHUNICWAGOBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49FN4O/c1-64(2,3)50-32-33-66-63(39-50)69-59-23-13-11-21-56(59)57-31-30-53(41-62(57)69)70-54-38-49(48-35-46(43-16-6-4-7-17-43)34-47(36-48)44-18-8-5-9-19-44)37-52(40-54)67-42-68(61-25-15-14-24-60(61)67)58-22-12-10-20-55(58)45-26-28-51(65)29-27-45/h4-41H,42H2,1-3H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 909.12 g/mol, XLogP of 17.32, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3,5-diphenylphenyl)-5-[3-[2-(4-fluorophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 172530270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).