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

C80H84F2N4O — CID 172530472

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

2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dicyclohexylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 172530472) has the molecular formula C80H84F2N4O and a molecular weight of 1155.57 g/mol. Its IUPAC name is 2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dicyclohexylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dicyclohexylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 172530472
• Molecular Formula: C80H84F2N4O
• Molecular Weight: 1155.57 g/mol
• Exact Mass: 1154.66
• IUPAC Name: 2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dicyclohexylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)c1cc(-c2cc(C(C)(C)C)cc(-c3cc(F)cc(F)c3)c2N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4c(C5CCCCC5)cccc4C4CCCCC4)c3)c3ccccc32)cc(C(C)C)c1
• InChI: InChI=1S/C80H84F2N4O/c1-50(2)54-36-55(51(3)4)38-56(37-54)70-43-60(80(8,9)10)44-71(57-39-61(81)46-62(82)40-57)78(70)85-49-84(73-30-19-20-31-74(73)85)63-41-58(77-66(52-22-13-11-14-23-52)27-21-28-67(77)53-24-15-12-16-25-53)42-65(47-63)87-64-32-33-69-68-26-17-18-29-72(68)86(75(69)48-64)76-45-59(34-35-83-76)79(5,6)7/h17-21,26-48,50-53H,11-16,22-25,49H2,1-10H3
• InChIKey: ATLXADDYJKHVAF-UHFFFAOYSA-N
• XLogP: 23.43
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.57
LogP ≤ 5	23.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dicyclohexylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 172530472) is 2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dicyclohexylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole.

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

The canonical SMILES for 2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dicyclohexylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)c1cc(-c2cc(C(C)(C)C)cc(-c3cc(F)cc(F)c3)c2N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)cc(-c4c(C5CCCCC5)cccc4C4CCCCC4)c3)c3ccccc32)cc(C(C)C)c1.

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

The InChIKey is ATLXADDYJKHVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H84F2N4O/c1-50(2)54-36-55(51(3)4)38-56(37-54)70-43-60(80(8,9)10)44-71(57-39-61(81)46-62(82)40-57)78(70)85-49-84(73-30-19-20-31-74(73)85)63-41-58(77-66(52-22-13-11-14-23-52)27-21-28-67(77)53-24-15-12-16-25-53)42-65(47-63)87-64-32-33-69-68-26-17-18-29-72(68)86(75(69)48-64)76-45-59(34-35-83-76)79(5,6)7/h17-21,26-48,50-53H,11-16,22-25,49H2,1-10H3.

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

2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dicyclohexylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 1155.57 g/mol, XLogP of 23.43, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[4-tert-butyl-2-(3,5-difluorophenyl)-6-[3,5-di(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]-5-(2,6-dicyclohexylphenyl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 172530472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).