4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile

C52H31N5O — CID 155232240

About 4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile

4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile (PubChem CID 155232240) has the molecular formula C52H31N5O and a molecular weight of 741.85 g/mol. Its IUPAC name is 4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
• PubChem CID: 155232240
• Molecular Formula: C52H31N5O
• Molecular Weight: 741.85 g/mol
• Exact Mass: 741.25
• IUPAC Name: 4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
• SMILES: N#Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
• InChI: InChI=1S/C52H31N5O/c53-32-33-19-21-34(22-20-33)39-23-26-41-40-15-7-9-17-45(40)57(47(41)31-39)46-27-24-37(38-25-28-49-43(29-38)42-16-8-10-18-48(42)58-49)30-44(46)52-55-50(35-11-3-1-4-12-35)54-51(56-52)36-13-5-2-6-14-36/h1-31H
• InChIKey: SKLSAOMQLSEHMG-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 80.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	741.85
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile?

The IUPAC name of 4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile (CID 155232240) is 4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile.

What is the SMILES notation for 4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile?

The canonical SMILES for 4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile is N#Cc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.

What is the InChIKey of 4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile?

The InChIKey is SKLSAOMQLSEHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5O/c53-32-33-19-21-34(22-20-33)39-23-26-41-40-15-7-9-17-45(40)57(47(41)31-39)46-27-24-37(38-25-28-49-43(29-38)42-16-8-10-18-48(42)58-49)30-44(46)52-55-50(35-11-3-1-4-12-35)54-51(56-52)36-13-5-2-6-14-36/h1-31H.

What are the key properties of 4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile?

4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile has a molecular weight of 741.85 g/mol, XLogP of 13.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile is sourced from PubChem (CID 155232240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).