7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole

C50H33F2N5 — CID 176643262

About 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole

7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole (PubChem CID 176643262) has the molecular formula C50H33F2N5 and a molecular weight of 741.85 g/mol. Its IUPAC name is 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole.

Molecular Properties

• Compound Name: 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole
• PubChem CID: 176643262
• Molecular Formula: C50H33F2N5
• Molecular Weight: 741.85 g/mol
• Exact Mass: 741.27
• IUPAC Name: 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole
• SMILES: Cc1cc(C(F)(F)c2ccccc2)cc2c3ccc(-c4cccc5c4nc(-c4cccc6c4[nH]c4ccccc46)n5-c4ccccc4)cc3n(-c3ccccn3)c12
• InChI: InChI=1S/C50H33F2N5/c1-31-28-34(50(51,52)33-14-4-2-5-15-33)30-41-38-26-25-32(29-44(38)57(48(31)41)45-24-10-11-27-53-45)36-19-13-23-43-47(36)55-49(56(43)35-16-6-3-7-17-35)40-21-12-20-39-37-18-8-9-22-42(37)54-46(39)40/h2-30,54H,1H3
• InChIKey: WWFJSZDEGUWCDY-UHFFFAOYSA-N
• XLogP: 12.93
• TPSA: 51.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.85
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole?

The IUPAC name of 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole (CID 176643262) is 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole.

What is the SMILES notation for 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole?

The canonical SMILES for 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole is Cc1cc(C(F)(F)c2ccccc2)cc2c3ccc(-c4cccc5c4nc(-c4cccc6c4[nH]c4ccccc46)n5-c4ccccc4)cc3n(-c3ccccn3)c12.

What is the InChIKey of 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole?

The InChIKey is WWFJSZDEGUWCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33F2N5/c1-31-28-34(50(51,52)33-14-4-2-5-15-33)30-41-38-26-25-32(29-44(38)57(48(31)41)45-24-10-11-27-53-45)36-19-13-23-43-47(36)55-49(56(43)35-16-6-3-7-17-35)40-21-12-20-39-37-18-8-9-22-42(37)54-46(39)40/h2-30,54H,1H3.

What are the key properties of 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole?

7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole has a molecular weight of 741.85 g/mol, XLogP of 12.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-[difluoro(phenyl)methyl]-1-methyl-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 176643262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).