4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile

C168H93N25 — CID 161129198

About 4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile

4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 161129198) has the molecular formula C168H93N25 and a molecular weight of 2461.77 g/mol. Its IUPAC name is 4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
• PubChem CID: 161129198
• Molecular Formula: C168H93N25
• Molecular Weight: 2461.77 g/mol
• Exact Mass: 2459.80
• IUPAC Name: 4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
• SMILES: [C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c(C#N)c1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(C#N)c1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccccc3c3ccccc32)c(C#N)c1
• InChI: InChI=1S/C61H33N9.C58H34N8.C49H26N8/c1-65-44-26-28-47(43(30-44)37-64)53-32-41(61-67-59(39-15-5-2-6-16-39)66-60(68-61)40-17-7-3-8-18-40)31-52(46-27-25-38(35-62)29-42(46)36-63)58(53)70-55-24-14-12-22-49(55)51-33-50-48-21-11-13-23-54(48)69(56(50)34-57(51)70)45-19-9-4-10-20-45;1-58(2)49-20-12-10-18-44(49)45-26-27-51-52(53(45)58)46-19-11-13-21-50(46)66(51)54-47(42-24-22-35(32-59)28-39(42)33-60)30-38(31-48(54)43-25-23-41(62-3)29-40(43)34-61)57-64-55(36-14-6-4-7-15-36)63-56(65-57)37-16-8-5-9-17-37;1-53-37-21-23-39(36(25-37)30-52)43-27-34(49-55-47(32-12-4-2-5-13-32)54-48(56-49)33-14-6-3-7-15-33)26-42(38-22-20-31(28-50)24-35(38)29-51)46(43)57-44-18-10-8-16-40(44)41-17-9-11-19-45(41)57/h2-34H;4-31H,1-2H3;2-27H
• InChIKey: ULYOWADLDSCXTG-UHFFFAOYSA-N
• XLogP: 39.81
• TPSA: 362.92 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2461.77
LogP ≤ 5	39.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile?

The IUPAC name of 4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile (CID 161129198) is 4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile is [C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c(C#N)c1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(C#N)c1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccccc3c3ccccc32)c(C#N)c1.

What is the InChIKey of 4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile?

The InChIKey is ULYOWADLDSCXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H33N9.C58H34N8.C49H26N8/c1-65-44-26-28-47(43(30-44)37-64)53-32-41(61-67-59(39-15-5-2-6-16-39)66-60(68-61)40-17-7-3-8-18-40)31-52(46-27-25-38(35-62)29-42(46)36-63)58(53)70-55-24-14-12-22-49(55)51-33-50-48-21-11-13-23-54(48)69(56(50)34-57(51)70)45-19-9-4-10-20-45;1-58(2)49-20-12-10-18-44(49)45-26-27-51-52(53(45)58)46-19-11-13-21-50(46)66(51)54-47(42-24-22-35(32-59)28-39(42)33-60)30-38(31-48(54)43-25-23-41(62-3)29-40(43)34-61)57-64-55(36-14-6-4-7-15-36)63-56(65-57)37-16-8-5-9-17-37;1-53-37-21-23-39(36(25-37)30-52)43-27-34(49-55-47(32-12-4-2-5-13-32)54-48(56-49)33-14-6-3-7-15-33)26-42(38-22-20-31(28-50)24-35(38)29-51)46(43)57-44-18-10-8-16-40(44)41-17-9-11-19-45(41)57/h2-34H;4-31H,1-2H3;2-27H.

What are the key properties of 4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile?

4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 2461.77 g/mol, XLogP of 39.81, 19 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-carbazol-9-yl-3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 161129198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).