2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile

C51H32N2 — CID 167336323

About 2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile

2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile (PubChem CID 167336323) has the molecular formula C51H32N2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
• PubChem CID: 167336323
• Molecular Formula: C51H32N2
• Molecular Weight: 672.83 g/mol
• Exact Mass: 672.26
• IUPAC Name: 2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
• SMILES: N#Cc1cccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c2)c1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C51H32N2/c52-33-39-18-13-25-40(51(39)53-47-26-10-8-19-41(47)42-20-9-11-27-48(42)53)38-17-12-16-37(32-38)34-28-30-36(31-29-34)50-45-23-6-4-21-43(45)49(35-14-2-1-3-15-35)44-22-5-7-24-46(44)50/h1-32H
• InChIKey: JSCZMRVTHKFWSQ-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 28.72 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.83
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile?

The IUPAC name of 2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile (CID 167336323) is 2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile.

What is the SMILES notation for 2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile?

The canonical SMILES for 2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile is N#Cc1cccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c2)c1-n1c2ccccc2c2ccccc21.

What is the InChIKey of 2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile?

The InChIKey is JSCZMRVTHKFWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2/c52-33-39-18-13-25-40(51(39)53-47-26-10-8-19-41(47)42-20-9-11-27-48(42)53)38-17-12-16-37(32-38)34-28-30-36(31-29-34)50-45-23-6-4-21-43(45)49(35-14-2-1-3-15-35)44-22-5-7-24-46(44)50/h1-32H.

What are the key properties of 2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile?

2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile has a molecular weight of 672.83 g/mol, XLogP of 13.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-3-[3-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 167336323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).