9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile

C51H33N5 — CID 154958001

About 9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile

9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile (PubChem CID 154958001) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile.

Molecular Properties

• Compound Name: 9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile
• PubChem CID: 154958001
• Molecular Formula: C51H33N5
• Molecular Weight: 715.86 g/mol
• Exact Mass: 715.27
• IUPAC Name: 9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile
• SMILES: C=Cc1c(/C=C\C)c2ccccc2n1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(-n2c3ccccc3c3cccc(C#N)c32)cc1C#N
• InChI: InChI=1S/C51H33N5/c1-3-14-38-40-17-6-9-21-46(40)54(45(38)4-2)36-26-28-50-44(30-36)42-19-8-12-24-49(42)56(50)48-23-11-5-16-39(48)37-27-25-35(29-34(37)32-53)55-47-22-10-7-18-41(47)43-20-13-15-33(31-52)51(43)55/h3-30H,2H2,1H3/b14-3-
• InChIKey: LTACXPUNLYACDQ-BNNQUZSASA-N
• XLogP: 12.91
• TPSA: 62.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.86
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile?

The IUPAC name of 9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile (CID 154958001) is 9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile.

What is the SMILES notation for 9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile?

The canonical SMILES for 9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile is C=Cc1c(/C=C\C)c2ccccc2n1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(-n2c3ccccc3c3cccc(C#N)c32)cc1C#N.

What is the InChIKey of 9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile?

The InChIKey is LTACXPUNLYACDQ-BNNQUZSASA-N. The full InChI is InChI=1S/C51H33N5/c1-3-14-38-40-17-6-9-21-46(40)54(45(38)4-2)36-26-28-50-44(30-36)42-19-8-12-24-49(42)56(50)48-23-11-5-16-39(48)37-27-25-35(29-34(37)32-53)55-47-22-10-7-18-41(47)43-20-13-15-33(31-52)51(43)55/h3-30H,2H2,1H3/b14-3-.

What are the key properties of 9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile?

9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile has a molecular weight of 715.86 g/mol, XLogP of 12.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-cyano-4-[2-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]carbazol-9-yl]phenyl]phenyl]carbazole-1-carbonitrile is sourced from PubChem (CID 154958001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).