6-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile

C36H21N3O — CID 146543561

About 6-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile

6-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile (PubChem CID 146543561) has the molecular formula C36H21N3O and a molecular weight of 511.58 g/mol. Its IUPAC name is 6-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
• PubChem CID: 146543561
• Molecular Formula: C36H21N3O
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.17
• IUPAC Name: 6-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
• SMILES: N#Cc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)cc2)nc1
• InChI: InChI=1S/C36H21N3O/c37-21-23-12-18-31(38-22-23)25-15-13-24(14-16-25)26-6-5-7-27(20-26)39-32-10-3-1-9-30(32)35-33(39)19-17-29-28-8-2-4-11-34(28)40-36(29)35/h1-20,22H
• InChIKey: ZDFBKHIZNFLUEE-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-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile?

The IUPAC name of 6-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile (CID 146543561) is 6-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile?

The canonical SMILES for 6-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile is N#Cc1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)cc2)nc1.

What is the InChIKey of 6-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile?

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

What are the key properties of 6-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile?

6-[4-[3-([1]benzofuro[3,2-c]carbazol-5-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-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 146543561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).