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

C36H21N3O — CID 146543091

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

5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile (PubChem CID 146543091) has the molecular formula C36H21N3O and a molecular weight of 511.58 g/mol. Its IUPAC name is 5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
• PubChem CID: 146543091
• Molecular Formula: C36H21N3O
• Molecular Weight: 511.58 g/mol
• Exact Mass: 511.17
• IUPAC Name: 5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile
• SMILES: N#Cc1cncc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)cc2)c1
• InChI: InChI=1S/C36H21N3O/c37-20-23-18-27(22-38-21-23)25-14-12-24(13-15-25)26-6-5-7-28(19-26)39-32-10-3-1-9-31(32)35-33(39)17-16-30-29-8-2-4-11-34(29)40-36(30)35/h1-19,21-22H
• InChIKey: FRLWFNLCXOAGLZ-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 5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile?

The IUPAC name of 5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile (CID 146543091) is 5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile.

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

The canonical SMILES for 5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2ccc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)cc2)c1.

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

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

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

5-[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 5-[4-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 146543091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).