9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole

C64H56F2N4O — CID 172531668

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole (PubChem CID 172531668) has the molecular formula C64H56F2N4O and a molecular weight of 935.18 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole
• PubChem CID: 172531668
• Molecular Formula: C64H56F2N4O
• Molecular Weight: 935.18 g/mol
• Exact Mass: 934.44
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3c(-c4ccccc4)cccc3-c3cc(F)cc(F)c3)c3ccccc32)c1
• InChI: InChI=1S/C64H56F2N4O/c1-40(2)51-20-15-21-52(41(3)4)62(51)44-33-48(37-50(34-44)71-49-27-28-56-55-19-11-12-24-57(55)70(60(56)38-49)61-35-45(29-30-67-61)64(5,6)7)68-39-69(59-26-14-13-25-58(59)68)63-53(42-17-9-8-10-18-42)22-16-23-54(63)43-31-46(65)36-47(66)32-43/h8-38,40-41H,39H2,1-7H3
• InChIKey: BQRRJCDAWSQOAQ-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.18
LogP ≤ 5	18.04
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-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole (CID 172531668) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole is CC(C)c1cccc(C(C)C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3c(-c4ccccc4)cccc3-c3cc(F)cc(F)c3)c3ccccc32)c1.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole?

The InChIKey is BQRRJCDAWSQOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56F2N4O/c1-40(2)51-20-15-21-52(41(3)4)62(51)44-33-48(37-50(34-44)71-49-27-28-56-55-19-11-12-24-57(55)70(60(56)38-49)61-35-45(29-30-67-61)64(5,6)7)68-39-69(59-26-14-13-25-58(59)68)63-53(42-17-9-8-10-18-42)22-16-23-54(63)43-31-46(65)36-47(66)32-43/h8-38,40-41H,39H2,1-7H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole has a molecular weight of 935.18 g/mol, XLogP of 18.04, 10 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-[2-(3,5-difluorophenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole is sourced from PubChem (CID 172531668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).