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

C52H26N8 — CID 166785159

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

4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 166785159) has the molecular formula C52H26N8 and a molecular weight of 762.84 g/mol. Its IUPAC name is 4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 166785159
• Molecular Formula: C52H26N8
• Molecular Weight: 762.84 g/mol
• Exact Mass: 762.23
• IUPAC Name: 4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• SMILES: N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(-c3cccnc3)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1
• InChI: InChI=1S/C52H26N8/c53-26-32-11-15-40(37(20-32)28-55)34-13-17-49-45(22-34)42-7-1-3-9-47(42)59(49)51-24-39(30-57)44(36-6-5-19-58-31-36)25-52(51)60-48-10-4-2-8-43(48)46-23-35(14-18-50(46)60)41-16-12-33(27-54)21-38(41)29-56/h1-25,31H
• InChIKey: ZRSGUKJNYVUGNB-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-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?

The IUPAC name of 4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 166785159) is 4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

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

The canonical SMILES for 4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(-c3cccnc3)cc2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1.

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

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

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

4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]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-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 166785159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).