4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile

C71H32F3N11 — CID 162228472

About 4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile

4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 162228472) has the molecular formula C71H32F3N11 and a molecular weight of 1096.11 g/mol. Its IUPAC name is 4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
• PubChem CID: 162228472
• Molecular Formula: C71H32F3N11
• Molecular Weight: 1096.11 g/mol
• Exact Mass: 1095.28
• IUPAC Name: 4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
• SMILES: [C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5C#N)cc4n(-c4cc(-c5cc(C)cc(C(F)(F)F)c5)cc(-n5c6cc(-c7ccc(C#N)cc7[N+]#[C-])ccc6c6ccc(-c7ccc([N+]#[C-])cc7[N+]#[C-])cc65)c4C#N)c3c2)c(C#N)c1
• InChI: InChI=1S/C71H32F3N11/c1-40-22-47(26-51(23-40)71(72,73)74)48-32-69(84-65-28-43(54-14-6-41(35-75)24-49(54)37-77)8-16-58(65)59-17-9-44(29-66(59)84)55-20-12-52(80-2)27-50(55)38-78)62(39-79)70(33-48)85-67-30-45(56-15-7-42(36-76)25-63(56)82-4)10-18-60(67)61-19-11-46(31-68(61)85)57-21-13-53(81-3)34-64(57)83-5/h6-34H,1H3
• InChIKey: NYSKIEKKCMOQBJ-UHFFFAOYSA-N
• XLogP: 19.10
• TPSA: 146.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1096.11
LogP ≤ 5	19.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?

The IUPAC name of 4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile (CID 162228472) is 4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is [C-]#[N+]c1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5C#N)cc4n(-c4cc(-c5cc(C)cc(C(F)(F)F)c5)cc(-n5c6cc(-c7ccc(C#N)cc7[N+]#[C-])ccc6c6ccc(-c7ccc([N+]#[C-])cc7[N+]#[C-])cc65)c4C#N)c3c2)c(C#N)c1.

What is the InChIKey of 4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?

The InChIKey is NYSKIEKKCMOQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H32F3N11/c1-40-22-47(26-51(23-40)71(72,73)74)48-32-69(84-65-28-43(54-14-6-41(35-75)24-49(54)37-77)8-16-58(65)59-17-9-44(29-66(59)84)55-20-12-52(80-2)27-50(55)38-78)62(39-79)70(33-48)85-67-30-45(56-15-7-42(36-76)25-63(56)82-4)10-18-60(67)61-19-11-46(31-68(61)85)57-21-13-53(81-3)34-64(57)83-5/h6-34H,1H3.

What are the key properties of 4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile?

4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 1096.11 g/mol, XLogP of 19.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 162228472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).