1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine

C55H33F2N5O — CID 176643512

About 1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine

1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 176643512) has the molecular formula C55H33F2N5O and a molecular weight of 817.90 g/mol. Its IUPAC name is 1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: 1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
• PubChem CID: 176643512
• Molecular Formula: C55H33F2N5O
• Molecular Weight: 817.90 g/mol
• Exact Mass: 817.27
• IUPAC Name: 1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
• SMILES: FC(F)(c1ccccc1)c1cccc2[nH]c3c(-c4nc5c(-c6ccc7c8ccccc8n(-c8nccc9c8oc8ccccc89)c7c6)cccc5n4-c4ccccc4)cccc3c12
• InChI: InChI=1S/C55H33F2N5O/c56-55(57,34-14-3-1-4-15-34)43-23-13-24-44-49(43)41-21-11-22-42(50(41)59-44)53-60-51-36(20-12-26-46(51)61(53)35-16-5-2-6-17-35)33-28-29-38-37-18-7-9-25-45(37)62(47(38)32-33)54-52-40(30-31-58-54)39-19-8-10-27-48(39)63-52/h1-32,59H
• InChIKey: FZMSFSMGTUEDHV-UHFFFAOYSA-N
• XLogP: 14.53
• TPSA: 64.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.90
LogP ≤ 5	14.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?

The IUPAC name of 1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine (CID 176643512) is 1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine.

What is the SMILES notation for 1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?

The canonical SMILES for 1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine is FC(F)(c1ccccc1)c1cccc2[nH]c3c(-c4nc5c(-c6ccc7c8ccccc8n(-c8nccc9c8oc8ccccc89)c7c6)cccc5n4-c4ccccc4)cccc3c12.

What is the InChIKey of 1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?

The InChIKey is FZMSFSMGTUEDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33F2N5O/c56-55(57,34-14-3-1-4-15-34)43-23-13-24-44-49(43)41-21-11-22-42(50(41)59-44)53-60-51-36(20-12-26-46(51)61(53)35-16-5-2-6-17-35)33-28-29-38-37-18-7-9-25-45(37)62(47(38)32-33)54-52-40(30-31-58-54)39-19-8-10-27-48(39)63-52/h1-32,59H.

What are the key properties of 1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?

1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 817.90 g/mol, XLogP of 14.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[5-[difluoro(phenyl)methyl]-9H-carbazol-1-yl]-1-phenylbenzimidazol-4-yl]carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 176643512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).