4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile

C179H98F12N24 — CID 160942625

About 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile

4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile (PubChem CID 160942625) has the molecular formula C179H98F12N24 and a molecular weight of 2812.90 g/mol. Its IUPAC name is 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

• Compound Name: 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
• PubChem CID: 160942625
• Molecular Formula: C179H98F12N24
• Molecular Weight: 2812.90 g/mol
• Exact Mass: 2810.82
• IUPAC Name: 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
• SMILES: [C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccc(-c4cc(C)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)c(C#N)c1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccccc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)c(C#N)c1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccccc3c3cc(-c4ccc(C)cc4C(F)(F)F)ccc32)c(C#N)c1
• InChI: InChI=1S/C65H36F6N8.2C57H31F3N8/c1-37-22-44(27-49(24-37)64(66,67)68)42-15-20-58-54(30-42)55-31-43(45-23-38(2)25-50(28-45)65(69,70)71)16-21-59(55)79(58)60-56(52-18-14-39(34-72)26-47(52)35-73)32-46(33-57(60)53-19-17-51(75-3)29-48(53)36-74)63-77-61(40-10-6-4-7-11-40)76-62(78-63)41-12-8-5-9-13-41;1-34-17-21-45(50(25-34)57(58,59)60)38-19-24-52-47(28-38)46-15-9-10-16-51(46)68(52)53-48(43-22-18-35(31-61)26-40(43)32-62)29-39(30-49(53)44-23-20-42(64-2)27-41(44)33-63)56-66-54(36-11-5-3-6-12-36)65-55(67-56)37-13-7-4-8-14-37;1-34-23-39(26-43(24-34)57(58,59)60)38-18-22-52-48(28-38)47-15-9-10-16-51(47)68(52)53-49(45-20-17-35(31-61)25-41(45)32-62)29-40(30-50(53)46-21-19-44(64-2)27-42(46)33-63)56-66-54(36-11-5-3-6-12-36)65-55(67-56)37-13-7-4-8-14-37/h4-33H,1-2H3;2*3-30H,1H3
• InChIKey: SURVONMFWBRTHK-UHFFFAOYSA-N
• XLogP: 46.39
• TPSA: 357.99 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2812.90
LogP ≤ 5	46.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile?

The IUPAC name of 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile (CID 160942625) is 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile.

What is the SMILES notation for 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile?

The canonical SMILES for 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile is [C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccc(-c4cc(C)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)c(C#N)c1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccccc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)c(C#N)c1.[C-]#[N+]c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C#N)cc3C#N)c2-n2c3ccccc3c3cc(-c4ccc(C)cc4C(F)(F)F)ccc32)c(C#N)c1.

What is the InChIKey of 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile?

The InChIKey is SURVONMFWBRTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H36F6N8.2C57H31F3N8/c1-37-22-44(27-49(24-37)64(66,67)68)42-15-20-58-54(30-42)55-31-43(45-23-38(2)25-50(28-45)65(69,70)71)16-21-59(55)79(58)60-56(52-18-14-39(34-72)26-47(52)35-73)32-46(33-57(60)53-19-17-51(75-3)29-48(53)36-74)63-77-61(40-10-6-4-7-11-40)76-62(78-63)41-12-8-5-9-13-41;1-34-17-21-45(50(25-34)57(58,59)60)38-19-24-52-47(28-38)46-15-9-10-16-51(46)68(52)53-48(43-22-18-35(31-61)26-40(43)32-62)29-39(30-49(53)44-23-20-42(64-2)27-41(44)33-63)56-66-54(36-11-5-3-6-12-36)65-55(67-56)37-13-7-4-8-14-37;1-34-23-39(26-43(24-34)57(58,59)60)38-18-22-52-48(28-38)47-15-9-10-16-51(47)68(52)53-49(45-20-17-35(31-61)25-41(45)32-62)29-40(30-50(53)46-21-19-44(64-2)27-42(46)33-63)56-66-54(36-11-5-3-6-12-36)65-55(67-56)37-13-7-4-8-14-37/h4-33H,1-2H3;2*3-30H,1H3.

What are the key properties of 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile?

4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 2812.90 g/mol, XLogP of 46.39, 22 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]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)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile;4-[3-(2-cyano-4-isocyanophenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 160942625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).