2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-[2,4-di(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole

C63H62F2N4O — CID 172534146

About 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-[2,4-di(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole

2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-[2,4-di(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole (PubChem CID 172534146) has the molecular formula C63H62F2N4O and a molecular weight of 929.21 g/mol. Its IUPAC name is 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-[2,4-di(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-[2,4-di(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole
• PubChem CID: 172534146
• Molecular Formula: C63H62F2N4O
• Molecular Weight: 929.21 g/mol
• Exact Mass: 928.49
• IUPAC Name: 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-[2,4-di(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole
• SMILES: CC(C)c1ccc(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(N3CN(c4c(C(C)C)cc(-c5ccc(F)cc5F)cc4C(C)C)c4cc(C(C)C)ccc43)c2)c(C(C)C)c1
• InChI: InChI=1S/C63H62F2N4O/c1-37(2)42-18-22-50(54(29-42)39(5)6)44-27-47(34-49(28-44)70-48-21-24-53-52-15-11-12-16-58(52)69(60(53)35-48)62-17-13-14-26-66-62)67-36-68(61-32-43(38(3)4)19-25-59(61)67)63-55(40(7)8)30-45(31-56(63)41(9)10)51-23-20-46(64)33-57(51)65/h11-35,37-41H,36H2,1-10H3
• InChIKey: AFMFEGNRRUNCAT-UHFFFAOYSA-N
• XLogP: 18.45
• 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	929.21
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-[2,4-di(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole (CID 172534146) is 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-[2,4-di(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole.

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

The canonical SMILES for 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-[2,4-di(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole is CC(C)c1ccc(-c2cc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(N3CN(c4c(C(C)C)cc(-c5ccc(F)cc5F)cc4C(C)C)c4cc(C(C)C)ccc43)c2)c(C(C)C)c1.

What is the InChIKey of 2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-[2,4-di(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole?

The InChIKey is AFMFEGNRRUNCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H62F2N4O/c1-37(2)42-18-22-50(54(29-42)39(5)6)44-27-47(34-49(28-44)70-48-21-24-53-52-15-11-12-16-58(52)69(60(53)35-48)62-17-13-14-26-66-62)67-36-68(61-32-43(38(3)4)19-25-59(61)67)63-55(40(7)8)30-45(31-56(63)41(9)10)51-23-20-46(64)33-57(51)65/h11-35,37-41H,36H2,1-10H3.

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

2-[3-[3-[4-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-[2,4-di(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole has a molecular weight of 929.21 g/mol, XLogP of 18.45, 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-(2,4-difluorophenyl)-2,6-di(propan-2-yl)phenyl]-5-propan-2-yl-2H-benzimidazol-1-yl]-5-[2,4-di(propan-2-yl)phenyl]phenoxy]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 172534146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).