6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile

C36H21N3O — CID 146543049

About 6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile

6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile (PubChem CID 146543049) 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-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
• PubChem CID: 146543049
• Molecular Formula: C36H21N3O
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.17
• IUPAC Name: 6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile
• SMILES: N#Cc1cccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c2)n1
• InChI: InChI=1S/C36H21N3O/c37-22-26-11-7-15-31(38-26)25-10-5-8-23(20-25)24-9-6-12-27(21-24)39-32-16-3-1-14-30(32)35-33(39)19-18-29-28-13-2-4-17-34(28)40-36(29)35/h1-21H
• InChIKey: GSHHUJNYUPRSMM-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-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile?

The IUPAC name of 6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile (CID 146543049) is 6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile.

What is the SMILES notation for 6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile?

The canonical SMILES for 6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile is N#Cc1cccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c2)n1.

What is the InChIKey of 6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile?

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

What are the key properties of 6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile?

6-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-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-c]carbazol-5-yl)phenyl]phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 146543049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).