2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile

C46H32N2O — CID 148741156

About 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile

2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile (PubChem CID 148741156) has the molecular formula C46H32N2O and a molecular weight of 628.78 g/mol. Its IUPAC name is 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile
• PubChem CID: 148741156
• Molecular Formula: C46H32N2O
• Molecular Weight: 628.78 g/mol
• Exact Mass: 628.25
• IUPAC Name: 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile
• SMILES: Cc1ccccc1-c1ccccc1CCc1ccc(-c2cccc(C#N)c2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1
• InChI: InChI=1S/C46H32N2O/c1-30-11-2-4-14-35(30)36-15-5-3-12-32(36)24-21-31-22-25-33(26-23-31)37-18-10-13-34(29-47)44(37)48-42-19-8-6-16-38(42)40-27-28-41-39-17-7-9-20-43(39)49-46(41)45(40)48/h2-20,22-23,25-28H,21,24H2,1H3
• InChIKey: OCWFVFFWULPXJG-UHFFFAOYSA-N
• XLogP: 11.98
• TPSA: 41.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.78
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile?

The IUPAC name of 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile (CID 148741156) is 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile.

What is the SMILES notation for 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile?

The canonical SMILES for 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile is Cc1ccccc1-c1ccccc1CCc1ccc(-c2cccc(C#N)c2-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1.

What is the InChIKey of 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile?

The InChIKey is OCWFVFFWULPXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N2O/c1-30-11-2-4-14-35(30)36-15-5-3-12-32(36)24-21-31-22-25-33(26-23-31)37-18-10-13-34(29-47)44(37)48-42-19-8-6-16-38(42)40-27-28-41-39-17-7-9-20-43(39)49-46(41)45(40)48/h2-20,22-23,25-28H,21,24H2,1H3.

What are the key properties of 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile?

2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile has a molecular weight of 628.78 g/mol, XLogP of 11.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[4-[2-[2-(2-methylphenyl)phenyl]ethyl]phenyl]benzonitrile is sourced from PubChem (CID 148741156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).