1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine

C50H30F3N5O — CID 176642529

About 1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine

1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 176642529) has the molecular formula C50H30F3N5O and a molecular weight of 773.82 g/mol. Its IUPAC name is 1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

• Compound Name: 1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
• PubChem CID: 176642529
• Molecular Formula: C50H30F3N5O
• Molecular Weight: 773.82 g/mol
• Exact Mass: 773.24
• IUPAC Name: 1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine
• SMILES: Cc1cc(-c2ccc3c4cc(C(F)(F)F)ccc4n(-c4nccc5c4oc4ccccc45)c3c2)c2nc(-c3cccc4c3[nH]c3ccccc34)n(-c3ccccc3)c2c1
• InChI: InChI=1S/C50H30F3N5O/c1-28-24-38(46-43(25-28)57(31-10-3-2-4-11-31)48(56-46)37-15-9-14-35-32-12-5-7-16-40(32)55-45(35)37)29-18-20-33-39-27-30(50(51,52)53)19-21-41(39)58(42(33)26-29)49-47-36(22-23-54-49)34-13-6-8-17-44(34)59-47/h2-27,55H,1H3
• InChIKey: JUFCXOPLICVAAD-UHFFFAOYSA-N
• XLogP: 13.71
• TPSA: 64.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.82
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?

The IUPAC name of 1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine (CID 176642529) is 1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine.

What is the SMILES notation for 1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?

The canonical SMILES for 1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine is Cc1cc(-c2ccc3c4cc(C(F)(F)F)ccc4n(-c4nccc5c4oc4ccccc45)c3c2)c2nc(-c3cccc4c3[nH]c3ccccc34)n(-c3ccccc3)c2c1.

What is the InChIKey of 1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?

The InChIKey is JUFCXOPLICVAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30F3N5O/c1-28-24-38(46-43(25-28)57(31-10-3-2-4-11-31)48(56-46)37-15-9-14-35-32-12-5-7-16-40(32)55-45(35)37)29-18-20-33-39-27-30(50(51,52)53)19-21-41(39)58(42(33)26-29)49-47-36(22-23-54-49)34-13-6-8-17-44(34)59-47/h2-27,55H,1H3.

What are the key properties of 1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine?

1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 773.82 g/mol, XLogP of 13.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-(9H-carbazol-1-yl)-6-methyl-1-phenylbenzimidazol-4-yl]-6-(trifluoromethyl)carbazol-9-yl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 176642529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).