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

C74H35N11 — CID 146274248

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

4-[9-[4-cyano-2-[4-cyano-2,3-bis[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 146274248) has the molecular formula C74H35N11 and a molecular weight of 1078.17 g/mol. Its IUPAC name is 4-[9-[4-cyano-2-[4-cyano-2,3-bis[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 4-[9-[4-cyano-2-[4-cyano-2,3-bis[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 146274248
• Molecular Formula: C74H35N11
• Molecular Weight: 1078.17 g/mol
• Exact Mass: 1077.31
• IUPAC Name: 4-[9-[4-cyano-2-[4-cyano-2,3-bis[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
• SMILES: N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ccc(C#N)c(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1
• InChI: InChI=1S/C74H35N11/c75-36-44-13-21-55(52(29-44)41-80)48-18-26-70-63(33-48)58-7-1-4-10-66(58)83(70)69-25-16-47(39-78)32-62(69)61-24-17-51(40-79)73(84-67-11-5-2-8-59(67)64-34-49(19-27-71(64)84)56-22-14-45(37-76)30-53(56)42-81)74(61)85-68-12-6-3-9-60(68)65-35-50(20-28-72(65)85)57-23-15-46(38-77)31-54(57)43-82/h1-35H
• InChIKey: MPQRODNNYCKGAF-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 205.11 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1078.17
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 4-[9-[4-cyano-2-[4-cyano-2,3-bis[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 146274248) is 4-[9-[4-cyano-2-[4-cyano-2,3-bis[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

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

The canonical SMILES for 4-[9-[4-cyano-2-[4-cyano-2,3-bis[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ccc(C#N)c(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5C#N)ccc43)c2-n2c3ccccc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c(C#N)c1.

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

The InChIKey is MPQRODNNYCKGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H35N11/c75-36-44-13-21-55(52(29-44)41-80)48-18-26-70-63(33-48)58-7-1-4-10-66(58)83(70)69-25-16-47(39-78)32-62(69)61-24-17-51(40-79)73(84-67-11-5-2-8-59(67)64-34-49(19-27-71(64)84)56-22-14-45(37-76)30-53(56)42-81)74(61)85-68-12-6-3-9-60(68)65-35-50(20-28-72(65)85)57-23-15-46(38-77)31-54(57)43-82/h1-35H.

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

4-[9-[4-cyano-2-[4-cyano-2,3-bis[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1078.17 g/mol, XLogP of 16.62, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[4-cyano-2-[4-cyano-2,3-bis[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 146274248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).