6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile

C36H21N3O — CID 146542762

About 6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile

6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile (PubChem CID 146542762) has the molecular formula C36H21N3O and a molecular weight of 511.58 g/mol. Its IUPAC name is 6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile
• PubChem CID: 146542762
• Molecular Formula: C36H21N3O
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.17
• IUPAC Name: 6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile
• SMILES: N#Cc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)c2)nc1
• InChI: InChI=1S/C36H21N3O/c37-21-23-15-17-31(38-22-23)26-9-5-7-24(19-26)25-8-6-10-27(20-25)39-32-13-3-1-11-28(32)29-16-18-34-35(36(29)39)30-12-2-4-14-33(30)40-34/h1-20,22H
• InChIKey: FLNBERYHQHEDLY-UHFFFAOYSA-N
• XLogP: 9.28
• TPSA: 54.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.58
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile?

The IUPAC name of 6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile (CID 146542762) is 6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile?

The canonical SMILES for 6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile is N#Cc1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3)c2)nc1.

What is the InChIKey of 6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile?

The InChIKey is FLNBERYHQHEDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N3O/c37-21-23-15-17-31(38-22-23)26-9-5-7-24(19-26)25-8-6-10-27(20-25)39-32-13-3-1-11-28(32)29-16-18-34-35(36(29)39)30-12-2-4-14-33(30)40-34/h1-20,22H.

What are the key properties of 6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile?

6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile has a molecular weight of 511.58 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 146542762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).