9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile

C34H19N5 — CID 139515751

About 9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile

9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile (PubChem CID 139515751) has the molecular formula C34H19N5 and a molecular weight of 497.56 g/mol. Its IUPAC name is 9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile
• PubChem CID: 139515751
• Molecular Formula: C34H19N5
• Molecular Weight: 497.56 g/mol
• Exact Mass: 497.16
• IUPAC Name: 9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile
• SMILES: N#CC1=CC(n2c3ccccc3c3cc(C#N)ccc32)=CC2(n3c4ccccc4c4cc(C#N)ccc43)CC12
• InChI: InChI=1S/C34H19N5/c35-18-21-9-11-31-27(13-21)25-5-1-3-7-30(25)38(31)24-15-23(20-37)29-17-34(29,16-24)39-32-8-4-2-6-26(32)28-14-22(19-36)10-12-33(28)39/h1-16,29H,17H2
• InChIKey: PZFVVBJLGVMWBI-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 81.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.56
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile?

The IUPAC name of 9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile (CID 139515751) is 9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile?

The canonical SMILES for 9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile is N#CC1=CC(n2c3ccccc3c3cc(C#N)ccc32)=CC2(n3c4ccccc4c4cc(C#N)ccc43)CC12.

What is the InChIKey of 9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile?

The InChIKey is PZFVVBJLGVMWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N5/c35-18-21-9-11-31-27(13-21)25-5-1-3-7-30(25)38(31)24-15-23(20-37)29-17-34(29,16-24)39-32-8-4-2-6-26(32)28-14-22(19-36)10-12-33(28)39/h1-16,29H,17H2.

What are the key properties of 9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile?

9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile has a molecular weight of 497.56 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-cyano-1-(3-cyanocarbazol-9-yl)-3-bicyclo[4.1.0]hepta-2,4-dienyl]carbazole-3-carbonitrile is sourced from PubChem (CID 139515751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).