9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile

C43H28N6 — CID 118650194

About 9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile

9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile (PubChem CID 118650194) has the molecular formula C43H28N6 and a molecular weight of 628.74 g/mol. Its IUPAC name is 9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile
• PubChem CID: 118650194
• Molecular Formula: C43H28N6
• Molecular Weight: 628.74 g/mol
• Exact Mass: 628.24
• IUPAC Name: 9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile
• SMILES: C=Cc1c(/C=C\CC#N)n(-c2nc(-c3ccccc3)c(-c3ccccc3)nc2-n2c3ccccc3c3cc(C#N)ccc32)c2ccccc12
• InChI: InChI=1S/C43H28N6/c1-2-32-33-19-9-11-21-37(33)48(36(32)23-13-14-26-44)42-43(49-38-22-12-10-20-34(38)35-27-29(28-45)24-25-39(35)49)47-41(31-17-7-4-8-18-31)40(46-42)30-15-5-3-6-16-30/h2-13,15-25,27H,1,14H2/b23-13-
• InChIKey: DROTVMYPGOPSBI-QRVIBDJDSA-N
• XLogP: 10.29
• TPSA: 83.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.74
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile?

The IUPAC name of 9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile (CID 118650194) is 9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile?

The canonical SMILES for 9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile is C=Cc1c(/C=C\CC#N)n(-c2nc(-c3ccccc3)c(-c3ccccc3)nc2-n2c3ccccc3c3cc(C#N)ccc32)c2ccccc12.

What is the InChIKey of 9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile?

The InChIKey is DROTVMYPGOPSBI-QRVIBDJDSA-N. The full InChI is InChI=1S/C43H28N6/c1-2-32-33-19-9-11-21-37(33)48(36(32)23-13-14-26-44)42-43(49-38-22-12-10-20-34(38)35-27-29(28-45)24-25-39(35)49)47-41(31-17-7-4-8-18-31)40(46-42)30-15-5-3-6-16-30/h2-13,15-25,27H,1,14H2/b23-13-.

What are the key properties of 9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile?

9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile has a molecular weight of 628.74 g/mol, XLogP of 10.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[2-[(Z)-3-cyanoprop-1-enyl]-3-ethenylindol-1-yl]-5,6-diphenylpyrazin-2-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 118650194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).