9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile

C56H34N4 — CID 121312489

About 9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile

9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 121312489) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
• PubChem CID: 121312489
• Molecular Formula: C56H34N4
• Molecular Weight: 762.92 g/mol
• Exact Mass: 762.28
• IUPAC Name: 9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
• SMILES: N#Cc1cccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1
• InChI: InChI=1S/C56H34N4/c57-35-37-14-13-15-39(30-37)43-16-1-3-18-45(43)47-20-5-6-21-48(47)46-19-4-2-17-44(46)40-32-41(59-53-25-10-7-22-49(53)50-23-8-11-26-54(50)59)34-42(33-40)60-55-27-12-9-24-51(55)52-31-38(36-58)28-29-56(52)60/h1-34H
• InChIKey: VJPZSLLFYSAEPL-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 57.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.92
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

The IUPAC name of 9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile (CID 121312489) is 9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

The canonical SMILES for 9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile is N#Cc1cccc(-c2ccccc2-c2ccccc2-c2ccccc2-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4cc(C#N)ccc43)c2)c1.

What is the InChIKey of 9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

The InChIKey is VJPZSLLFYSAEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c57-35-37-14-13-15-39(30-37)43-16-1-3-18-45(43)47-20-5-6-21-48(47)46-19-4-2-17-44(46)40-32-41(59-53-25-10-7-22-49(53)50-23-8-11-26-54(50)59)34-42(33-40)60-55-27-12-9-24-51(55)52-31-38(36-58)28-29-56(52)60/h1-34H.

What are the key properties of 9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 762.92 g/mol, XLogP of 14.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-[2-[2-[2-(3-cyanophenyl)phenyl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 121312489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).