3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile

C220H125F9N30 — CID 158525517

About 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile

3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile (PubChem CID 158525517) has the molecular formula C220H125F9N30 and a molecular weight of 3359.61 g/mol. Its IUPAC name is 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile.

Molecular Properties

• Compound Name: 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
• PubChem CID: 158525517
• Molecular Formula: C220H125F9N30
• Molecular Weight: 3359.61 g/mol
• Exact Mass: 3357.06
• IUPAC Name: 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
• SMILES: Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(C#N)cc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(C#N)cc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(C#N)cc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(C#N)cc1-n1c2ccccc2c2cc(C#N)ccc21
• InChI: InChI=1S/C56H34F6N6.C56H28N10.C54H33F3N6.C54H30N8/c1-32-13-20-46-41(25-32)42-26-33(2)14-21-47(42)67(46)48-22-16-37(54-65-52(35-9-5-3-6-10-35)64-53(66-54)36-11-7-4-8-12-36)28-43(48)40-19-15-34(31-63)27-51(40)68-49-23-17-38(55(57,58)59)29-44(49)45-30-39(56(60,61)62)18-24-50(45)68;1-60-40-17-23-51-46(29-40)47-30-41(61-2)18-24-52(47)65(51)50-22-16-39(56-63-54(37-9-5-3-6-10-37)62-55(64-56)38-11-7-4-8-12-38)28-45(50)42-19-13-36(33-59)27-53(42)66-48-20-14-34(31-57)25-43(48)44-26-35(32-58)15-21-49(44)66;1-33-20-25-47-42(28-33)39-16-8-10-18-45(39)62(47)48-26-22-37(53-60-51(35-12-4-2-5-13-35)59-52(61-53)36-14-6-3-7-15-36)30-43(48)41-24-21-34(32-58)29-50(41)63-46-19-11-9-17-40(46)44-31-38(54(55,56)57)23-27-49(44)63;1-57-39-23-27-50-45(31-39)41-17-9-10-18-46(41)61(50)49-26-22-38(54-59-52(36-12-4-2-5-13-36)58-53(60-54)37-14-6-3-7-15-37)30-44(49)42-24-20-35(33-56)29-51(42)62-47-19-11-8-16-40(47)43-28-34(32-55)21-25-48(43)62/h3-30H,1-2H3;3-30H;2-31H,1H3;2-31H
• InChIKey: HMSWEKSZTFFJLG-UHFFFAOYSA-N
• XLogP: 55.67
• TPSA: 373.73 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 259
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3359.61
LogP ≤ 5	55.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?

The IUPAC name of 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile (CID 158525517) is 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile.

What is the SMILES notation for 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?

The canonical SMILES for 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(C#N)cc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(C#N)cc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(C#N)cc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(C#N)cc1-n1c2ccccc2c2cc(C#N)ccc21.

What is the InChIKey of 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?

The InChIKey is HMSWEKSZTFFJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34F6N6.C56H28N10.C54H33F3N6.C54H30N8/c1-32-13-20-46-41(25-32)42-26-33(2)14-21-47(42)67(46)48-22-16-37(54-65-52(35-9-5-3-6-10-35)64-53(66-54)36-11-7-4-8-12-36)28-43(48)40-19-15-34(31-63)27-51(40)68-49-23-17-38(55(57,58)59)29-44(49)45-30-39(56(60,61)62)18-24-50(45)68;1-60-40-17-23-51-46(29-40)47-30-41(61-2)18-24-52(47)65(51)50-22-16-39(56-63-54(37-9-5-3-6-10-37)62-55(64-56)38-11-7-4-8-12-38)28-45(50)42-19-13-36(33-59)27-53(42)66-48-20-14-34(31-57)25-43(48)44-26-35(32-58)15-21-49(44)66;1-33-20-25-47-42(28-33)39-16-8-10-18-45(39)62(47)48-26-22-37(53-60-51(35-12-4-2-5-13-35)59-52(61-53)36-14-6-3-7-15-36)30-43(48)41-24-21-34(32-58)29-50(41)63-46-19-11-9-17-40(46)44-31-38(54(55,56)57)23-27-49(44)63;1-57-39-23-27-50-45(31-39)41-17-9-10-18-46(41)61(50)49-26-22-38(54-59-52(36-12-4-2-5-13-36)58-53(60-54)37-14-6-3-7-15-37)30-44(49)42-24-20-35(33-56)29-51(42)62-47-19-11-8-16-40(47)43-28-34(32-55)21-25-48(43)62/h3-30H,1-2H3;3-30H;2-31H,1H3;2-31H.

What are the key properties of 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile?

3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile has a molecular weight of 3359.61 g/mol, XLogP of 55.67, 24 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 158525517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).