4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile

C69H32F3N11 — CID 155216490

About 4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile

4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 155216490) has the molecular formula C69H32F3N11 and a molecular weight of 1072.09 g/mol. Its IUPAC name is 4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 155216490
• Molecular Formula: C69H32F3N11
• Molecular Weight: 1072.09 g/mol
• Exact Mass: 1071.28
• IUPAC Name: 4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
• SMILES: Cc1cccc(-c2cc(-n3c4cc(-c5ccc(C#N)cc5C#N)ccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c(C(F)(F)F)c(-n3c4cc(-c5ccc(C#N)cc5C#N)ccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c2)n1
• InChI: InChI=1S/C69H32F3N11/c1-39-3-2-4-61(81-39)48-29-66(82-62-25-44(53-13-5-40(31-73)21-49(53)35-77)9-17-57(62)58-18-10-45(26-63(58)82)54-14-6-41(32-74)22-50(54)36-78)68(69(70,71)72)67(30-48)83-64-27-46(55-15-7-42(33-75)23-51(55)37-79)11-19-59(64)60-20-12-47(28-65(60)83)56-16-8-43(34-76)24-52(56)38-80/h2-30H,1H3
• InChIKey: QNUFJHQNSZPKQJ-UHFFFAOYSA-N
• XLogP: 15.91
• TPSA: 213.07 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1072.09
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?

The IUPAC name of 4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (CID 155216490) is 4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is Cc1cccc(-c2cc(-n3c4cc(-c5ccc(C#N)cc5C#N)ccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c(C(F)(F)F)c(-n3c4cc(-c5ccc(C#N)cc5C#N)ccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c2)n1.

What is the InChIKey of 4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?

The InChIKey is QNUFJHQNSZPKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H32F3N11/c1-39-3-2-4-61(81-39)48-29-66(82-62-25-44(53-13-5-40(31-73)21-49(53)35-77)9-17-57(62)58-18-10-45(26-63(58)82)54-14-6-41(32-74)22-50(54)36-78)68(69(70,71)72)67(30-48)83-64-27-46(55-15-7-42(33-75)23-51(55)37-79)11-19-59(64)60-20-12-47(28-65(60)83)56-16-8-43(34-76)24-52(56)38-80/h2-30H,1H3.

What are the key properties of 4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?

4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1072.09 g/mol, XLogP of 15.91, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[3-[2,7-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]-7-(2,4-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155216490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).