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

C52H31N5O — CID 155232743

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

2-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile (PubChem CID 155232743) has the molecular formula C52H31N5O and a molecular weight of 741.85 g/mol. Its IUPAC name is 2-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile.

Molecular Properties

• Compound Name: 2-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
• PubChem CID: 155232743
• Molecular Formula: C52H31N5O
• Molecular Weight: 741.85 g/mol
• Exact Mass: 741.25
• IUPAC Name: 2-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
• SMILES: N#Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4cccc5oc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1
• InChI: InChI=1S/C52H31N5O/c53-32-37-18-7-8-19-38(37)36-26-28-41-40-20-9-11-23-44(40)57(46(41)31-36)45-29-27-35(39-22-13-25-48-49(39)42-21-10-12-24-47(42)58-48)30-43(45)52-55-50(33-14-3-1-4-15-33)54-51(56-52)34-16-5-2-6-17-34/h1-31H
• InChIKey: SZHPAMRHJRONHP-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 2-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile?

The IUPAC name of 2-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile (CID 155232743) is 2-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile.

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

The canonical SMILES for 2-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile is N#Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccc(-c4cccc5oc6ccccc6c45)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2c1.

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

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

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

2-[9-[4-dibenzofuran-1-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 2-[9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile is sourced from PubChem (CID 155232743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).