9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile

C46H29N5 — CID 155086269

About 9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile

9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 155086269) has the molecular formula C46H29N5 and a molecular weight of 651.77 g/mol. Its IUPAC name is 9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
• PubChem CID: 155086269
• Molecular Formula: C46H29N5
• Molecular Weight: 651.77 g/mol
• Exact Mass: 651.24
• IUPAC Name: 9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile
• SMILES: C=Cc1c(/C=C\C)c2cc(C#N)ccc2n1-c1cccc(-c2cccc(-c3c(C#N)cccc3-n3c4ccccc4c4cc(C#N)ccc43)c2)c1
• InChI: InChI=1S/C46H29N5/c1-3-10-37-39-23-30(27-47)19-21-43(39)50(41(37)4-2)36-15-8-12-33(26-36)32-11-7-13-34(25-32)46-35(29-49)14-9-18-45(46)51-42-17-6-5-16-38(42)40-24-31(28-48)20-22-44(40)51/h3-26H,2H2,1H3/b10-3-
• InChIKey: MSRWNSQEHINVGI-KMKOMSMNSA-N
• XLogP: 11.35
• TPSA: 81.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.77
LogP ≤ 5	11.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

The IUPAC name of 9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile (CID 155086269) is 9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile.

What is the SMILES notation for 9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

The canonical SMILES for 9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile is C=Cc1c(/C=C\C)c2cc(C#N)ccc2n1-c1cccc(-c2cccc(-c3c(C#N)cccc3-n3c4ccccc4c4cc(C#N)ccc43)c2)c1.

What is the InChIKey of 9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

The InChIKey is MSRWNSQEHINVGI-KMKOMSMNSA-N. The full InChI is InChI=1S/C46H29N5/c1-3-10-37-39-23-30(27-47)19-21-43(39)50(41(37)4-2)36-15-8-12-33(26-36)32-11-7-13-34(25-32)46-35(29-49)14-9-18-45(46)51-42-17-6-5-16-38(42)40-24-31(28-48)20-22-44(40)51/h3-26H,2H2,1H3/b10-3-.

What are the key properties of 9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile?

9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 651.77 g/mol, XLogP of 11.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-cyano-2-[3-[3-[5-cyano-2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 155086269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).