9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile

C122H70N26 — CID 159941164

About 9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile

9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile (PubChem CID 159941164) has the molecular formula C122H70N26 and a molecular weight of 1900.08 g/mol. Its IUPAC name is 9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile.

Molecular Properties

• Compound Name: 9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile
• PubChem CID: 159941164
• Molecular Formula: C122H70N26
• Molecular Weight: 1900.08 g/mol
• Exact Mass: 1898.63
• IUPAC Name: 9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3ccc(-c4nc(C)nc(C)n4)c([N+]#[C-])c3)c2c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3ccc([N+]#[C-])c(-c4nc(C)nc(C)n4)c3)c2c1
• InChI: InChI=1S/2C35H20N6.2C26H15N7/c36-21-23-15-18-32-30(19-23)29-13-7-8-14-31(29)41(32)27-16-17-28(26(20-27)22-37)35-39-33(24-9-3-1-4-10-24)38-34(40-35)25-11-5-2-6-12-25;36-21-23-15-18-32-30(19-23)28-13-7-8-14-31(28)41(32)27-17-16-26(22-37)29(20-27)35-39-33(24-9-3-1-4-10-24)38-34(40-35)25-11-5-2-6-12-25;1-15-30-16(2)32-26(31-15)22-13-19(7-10-23(22)29-4)33-24-11-17(14-27)5-8-20(24)21-9-6-18(28-3)12-25(21)33;1-15-30-16(2)32-26(31-15)22-10-7-19(13-23(22)29-4)33-24-11-17(14-27)5-8-20(24)21-9-6-18(28-3)12-25(21)33/h2*1-20H;2*5-13H,1-2H3
• InChIKey: OAXBAQRYSVPWMG-UHFFFAOYSA-N
• XLogP: 27.88
• TPSA: 334.58 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1900.08
LogP ≤ 5	27.88
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 9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile?

The IUPAC name of 9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile (CID 159941164) is 9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile.

What is the SMILES notation for 9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile?

The canonical SMILES for 9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(C#N)c1.N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3ccc(-c4nc(C)nc(C)n4)c([N+]#[C-])c3)c2c1.[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3ccc([N+]#[C-])c(-c4nc(C)nc(C)n4)c3)c2c1.

What is the InChIKey of 9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile?

The InChIKey is OAXBAQRYSVPWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H20N6.2C26H15N7/c36-21-23-15-18-32-30(19-23)29-13-7-8-14-31(29)41(32)27-16-17-28(26(20-27)22-37)35-39-33(24-9-3-1-4-10-24)38-34(40-35)25-11-5-2-6-12-25;36-21-23-15-18-32-30(19-23)28-13-7-8-14-31(28)41(32)27-17-16-26(22-37)29(20-27)35-39-33(24-9-3-1-4-10-24)38-34(40-35)25-11-5-2-6-12-25;1-15-30-16(2)32-26(31-15)22-13-19(7-10-23(22)29-4)33-24-11-17(14-27)5-8-20(24)21-9-6-18(28-3)12-25(21)33;1-15-30-16(2)32-26(31-15)22-10-7-19(13-23(22)29-4)33-24-11-17(14-27)5-8-20(24)21-9-6-18(28-3)12-25(21)33/h2*1-20H;2*5-13H,1-2H3.

What are the key properties of 9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile?

9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile has a molecular weight of 1900.08 g/mol, XLogP of 27.88, 12 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile;9-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;9-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile is sourced from PubChem (CID 159941164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).