4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile

C183H107F9N24 — CID 162025268

About 4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile

4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile (PubChem CID 162025268) has the molecular formula C183H107F9N24 and a molecular weight of 2813.02 g/mol. Its IUPAC name is 4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile.

Molecular Properties

• Compound Name: 4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile
• PubChem CID: 162025268
• Molecular Formula: C183H107F9N24
• Molecular Weight: 2813.02 g/mol
• Exact Mass: 2810.90
• IUPAC Name: 4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile
• SMILES: Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(C3=CCC(C(F)(F)F)C=C3)c2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1.[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])ccc2n3-c2c(-c3ccc(C)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C(F)(F)F)cc2)c([N+]#[C-])c1.[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccc(C)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C(F)(F)F)cc2)c([N+]#[C-])c1
• InChI: InChI=1S/C65H33F3N10.C62H42F3N7.C56H32F3N7/c1-38-15-17-40(18-16-38)51-32-46(64-76-62(42-11-7-5-8-12-42)75-63(77-64)43-13-9-6-10-14-43)33-52(41-19-23-49(24-20-41)65(66,67)68)61(51)78-57-25-21-44(59-47(36-70)27-39(35-69)28-55(59)73-3)30-53(57)54-31-45(22-26-58(54)78)60-48(37-71)29-50(72-2)34-56(60)74-4;1-39-26-28-40(29-27-39)50-37-47(61-70-58(44-20-10-4-11-21-44)67-59(71-61)45-22-12-5-13-23-45)38-51(41-30-33-48(34-31-41)62(63,64)65)55(50)72-53-25-15-14-24-49(53)52-36-46(32-35-54(52)72)60-68-56(42-16-6-2-7-17-42)66-57(69-60)43-18-8-3-9-19-43;1-34-18-20-35(21-19-34)45-30-40(55-64-53(37-12-6-4-7-13-37)63-54(65-55)38-14-8-5-9-15-38)31-46(36-22-25-42(26-23-36)56(57,58)59)52(45)66-49-17-11-10-16-44(49)47-29-39(24-27-50(47)66)51-41(33-60)28-43(61-2)32-48(51)62-3/h5-34H,1H3;2-33,35-38,48H,34H2,1H3;4-32H,1H3
• InChIKey: YVHCBYAUYOSXRU-UHFFFAOYSA-N
• XLogP: 48.16
• TPSA: 286.43 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2813.02
LogP ≤ 5	48.16
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-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile?

The IUPAC name of 4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile (CID 162025268) is 4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile.

What is the SMILES notation for 4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile?

The canonical SMILES for 4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile is Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(C3=CCC(C(F)(F)F)C=C3)c2-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc1.[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])ccc2n3-c2c(-c3ccc(C)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C(F)(F)F)cc2)c([N+]#[C-])c1.[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3ccc(C)cc3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccc(C(F)(F)F)cc2)c([N+]#[C-])c1.

What is the InChIKey of 4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile?

The InChIKey is YVHCBYAUYOSXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H33F3N10.C62H42F3N7.C56H32F3N7/c1-38-15-17-40(18-16-38)51-32-46(64-76-62(42-11-7-5-8-12-42)75-63(77-64)43-13-9-6-10-14-43)33-52(41-19-23-49(24-20-41)65(66,67)68)61(51)78-57-25-21-44(59-47(36-70)27-39(35-69)28-55(59)73-3)30-53(57)54-31-45(22-26-58(54)78)60-48(37-71)29-50(72-2)34-56(60)74-4;1-39-26-28-40(29-27-39)50-37-47(61-70-58(44-20-10-4-11-21-44)67-59(71-61)45-22-12-5-13-23-45)38-51(41-30-33-48(34-31-41)62(63,64)65)55(50)72-53-25-15-14-24-49(53)52-36-46(32-35-54(52)72)60-68-56(42-16-6-2-7-17-42)66-57(69-60)43-18-8-3-9-19-43;1-34-18-20-35(21-19-34)45-30-40(55-64-53(37-12-6-4-7-13-37)63-54(65-55)38-14-8-5-9-15-38)31-46(36-22-25-42(26-23-36)56(57,58)59)52(45)66-49-17-11-10-16-44(49)47-29-39(24-27-50(47)66)51-41(33-60)28-43(61-2)32-48(51)62-3/h5-34H,1H3;2-33,35-38,48H,34H2,1H3;4-32H,1H3.

What are the key properties of 4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile?

4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile has a molecular weight of 2813.02 g/mol, XLogP of 48.16, 24 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]phenyl]carbazole;2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile is sourced from PubChem (CID 162025268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).