4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile

C169H134N20 — CID 157274173

About 4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile

4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 157274173) has the molecular formula C169H134N20 and a molecular weight of 2445.07 g/mol. Its IUPAC name is 4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
• PubChem CID: 157274173
• Molecular Formula: C169H134N20
• Molecular Weight: 2445.07 g/mol
• Exact Mass: 2443.11
• IUPAC Name: 4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
• SMILES: Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.Cc1cc(C)c(-c2ccc3c4ccccc4n(Cc4ccc(C#N)cc4-c4nc(C)nc(C)n4)c3c2)c(C)c1.Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(C#N)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[C-]#[N+]c1ccc(-n2c3cc(-c4c(C)cc(C)cc4C)ccc3c3ccc(-c4c(C)cc(C)cc4C)cc32)c(-c2nc(C)nc(C)n2)c1
• InChI: InChI=1S/C50H37N5.C43H31N5.C42H37N5.C34H29N5/c1-31-21-32(2)24-40(23-31)38-16-19-45-42(28-38)43-29-39(41-25-33(3)22-34(4)26-41)17-20-46(43)55(45)47-18-15-35(30-51)27-44(47)50-53-48(36-11-7-5-8-12-36)52-49(54-50)37-13-9-6-10-14-37;1-27-22-28(2)40(29(3)23-27)33-19-21-38-35(25-33)34-16-10-11-17-37(34)48(38)39-20-18-30(26-44)24-36(39)43-46-41(31-12-6-4-7-13-31)45-42(47-43)32-14-8-5-9-15-32;1-23-16-25(3)40(26(4)17-23)31-10-13-34-35-14-11-32(41-27(5)18-24(2)19-28(41)6)21-39(35)47(38(34)20-31)37-15-12-33(43-9)22-36(37)42-45-29(7)44-30(8)46-42;1-20-14-21(2)33(22(3)15-20)26-12-13-29-28-8-6-7-9-31(28)39(32(29)17-26)19-27-11-10-25(18-35)16-30(27)34-37-23(4)36-24(5)38-34/h5-29H,1-4H3;4-25H,1-3H3;10-22H,1-8H3;6-17H,19H2,1-5H3
• InChIKey: AYWXBCHWKJPZFO-UHFFFAOYSA-N
• XLogP: 41.61
• TPSA: 250.13 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2445.07
LogP ≤ 5	41.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?

The IUPAC name of 4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile (CID 157274173) is 4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile.

What is the SMILES notation for 4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?

The canonical SMILES for 4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile is Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C)c1.Cc1cc(C)c(-c2ccc3c4ccccc4n(Cc4ccc(C#N)cc4-c4nc(C)nc(C)n4)c3c2)c(C)c1.Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2ccc(C#N)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[C-]#[N+]c1ccc(-n2c3cc(-c4c(C)cc(C)cc4C)ccc3c3ccc(-c4c(C)cc(C)cc4C)cc32)c(-c2nc(C)nc(C)n2)c1.

What is the InChIKey of 4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?

The InChIKey is AYWXBCHWKJPZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N5.C43H31N5.C42H37N5.C34H29N5/c1-31-21-32(2)24-40(23-31)38-16-19-45-42(28-38)43-29-39(41-25-33(3)22-34(4)26-41)17-20-46(43)55(45)47-18-15-35(30-51)27-44(47)50-53-48(36-11-7-5-8-12-36)52-49(54-50)37-13-9-6-10-14-37;1-27-22-28(2)40(29(3)23-27)33-19-21-38-35(25-33)34-16-10-11-17-37(34)48(38)39-20-18-30(26-44)24-36(39)43-46-41(31-12-6-4-7-13-31)45-42(47-43)32-14-8-5-9-15-32;1-23-16-25(3)40(26(4)17-23)31-10-13-34-35-14-11-32(41-27(5)18-24(2)19-28(41)6)21-39(35)47(38(34)20-31)37-15-12-33(43-9)22-36(37)42-45-29(7)44-30(8)46-42;1-20-14-21(2)33(22(3)15-20)26-12-13-29-28-8-6-7-9-31(28)39(32(29)17-26)19-27-11-10-25(18-35)16-30(27)34-37-23(4)36-24(5)38-34/h5-29H,1-4H3;4-25H,1-3H3;10-22H,1-8H3;6-17H,19H2,1-5H3.

What are the key properties of 4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?

4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile has a molecular weight of 2445.07 g/mol, XLogP of 41.61, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;9-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-[[2-(2,4,6-trimethylphenyl)carbazol-9-yl]methyl]benzonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 157274173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).