4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

C52H26N8 — CID 146409434

About 4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 146409434) has the molecular formula C52H26N8 and a molecular weight of 762.84 g/mol. Its IUPAC name is 4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 146409434
• Molecular Formula: C52H26N8
• Molecular Weight: 762.84 g/mol
• Exact Mass: 762.23
• IUPAC Name: 4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• SMILES: N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cnccc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1
• InChI: InChI=1S/C52H26N8/c53-26-32-9-14-39(37(21-32)29-56)35-12-17-49-45(24-35)41-5-1-3-7-47(41)59(49)51-23-34(28-55)11-16-43(51)44-19-20-58-31-52(44)60-48-8-4-2-6-42(48)46-25-36(13-18-50(46)60)40-15-10-33(27-54)22-38(40)30-57/h1-25,31H
• InChIKey: TUZNGFGRHWNMDE-UHFFFAOYSA-N
• XLogP: 11.64
• TPSA: 141.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.84
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The IUPAC name of 4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 146409434) is 4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cnccc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1.

What is the InChIKey of 4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The InChIKey is TUZNGFGRHWNMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H26N8/c53-26-32-9-14-39(37(21-32)29-56)35-12-17-49-45(24-35)41-5-1-3-7-47(41)59(49)51-23-34(28-55)11-16-43(51)44-19-20-58-31-52(44)60-48-8-4-2-6-42(48)46-25-36(13-18-50(46)60)40-15-10-33(27-54)22-38(40)30-57/h1-25,31H.

What are the key properties of 4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 762.84 g/mol, XLogP of 11.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 146409434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).