4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole

C191H109N25 — CID 159913250

About 4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole

4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole (PubChem CID 159913250) has the molecular formula C191H109N25 and a molecular weight of 2754.15 g/mol. Its IUPAC name is 4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole.

Molecular Properties

• Compound Name: 4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole
• PubChem CID: 159913250
• Molecular Formula: C191H109N25
• Molecular Weight: 2754.15 g/mol
• Exact Mass: 2751.93
• IUPAC Name: 4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole
• SMILES: [C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4cc([N+]#[C-])c(-c5nc(C)cc(C)n5)cc4-n4c5ccccc5c5ccc(-c6cccc([N+]#[C-])c6)cc54)c3c2)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc([N+]#[C-])c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3cc(C#N)c(-c4nc(C)cc(C)n4)cc3-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)c2c1
• InChI: InChI=1S/C75H41N9.C65H37N9.C51H31N7/c1-78-64-28-16-14-26-57(64)51-32-36-70-61(40-51)59-38-49(55-24-12-10-22-53(55)45-76)30-34-69(59)83(70)73-42-63(75-81-66(47-18-6-4-7-19-47)43-67(82-75)48-20-8-5-9-21-48)68(80-3)44-74(73)84-71-35-31-50(56-25-13-11-23-54(56)46-77)39-60(71)62-41-52(33-37-72(62)84)58-27-15-17-29-65(58)79-2;1-39-28-40(2)72-65(71-39)57-34-64(74-60-30-42(50-16-8-5-13-46(50)36-67)21-25-54(60)55-26-22-43(31-61(55)74)51-17-9-6-14-47(51)37-68)63(33-48(57)38-69)73-59-29-41(49-15-7-4-12-45(49)35-66)20-24-53(59)56-27-23-44(32-62(56)73)52-18-10-11-19-58(52)70-3;1-31-24-32(2)56-51(55-31)43-29-49(57-45-18-8-6-16-39(45)41-22-20-35(27-47(41)57)33-12-10-14-37(25-33)52-3)50(30-44(43)54-5)58-46-19-9-7-17-40(46)42-23-21-36(28-48(42)58)34-13-11-15-38(26-34)53-4/h4-44H;4-34H,1-2H3;6-30H,1-2H3
• InChIKey: NXLIQYRWSCINEZ-UHFFFAOYSA-N
• XLogP: 49.34
• TPSA: 280.18 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2754.15
LogP ≤ 5	49.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole?

The IUPAC name of 4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole (CID 159913250) is 4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole.

What is the SMILES notation for 4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole?

The canonical SMILES for 4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole is [C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4cc([N+]#[C-])c(-c5nc(C)cc(C)n5)cc4-n4c5ccccc5c5ccc(-c6cccc([N+]#[C-])c6)cc54)c3c2)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc([N+]#[C-])c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3[N+]#[C-])ccc21.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3cc(C#N)c(-c4nc(C)cc(C)n4)cc3-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)c2c1.

What is the InChIKey of 4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole?

The InChIKey is NXLIQYRWSCINEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H41N9.C65H37N9.C51H31N7/c1-78-64-28-16-14-26-57(64)51-32-36-70-61(40-51)59-38-49(55-24-12-10-22-53(55)45-76)30-34-69(59)83(70)73-42-63(75-81-66(47-18-6-4-7-19-47)43-67(82-75)48-20-8-5-9-21-48)68(80-3)44-74(73)84-71-35-31-50(56-25-13-11-23-54(56)46-77)39-60(71)62-41-52(33-37-72(62)84)58-27-15-17-29-65(58)79-2;1-39-28-40(2)72-65(71-39)57-34-64(74-60-30-42(50-16-8-5-13-46(50)36-67)21-25-54(60)55-26-22-43(31-61(55)74)51-17-9-6-14-47(51)37-68)63(33-48(57)38-69)73-59-29-41(49-15-7-4-12-45(49)35-66)20-24-53(59)56-27-23-44(32-62(56)73)52-18-10-11-19-58(52)70-3;1-31-24-32(2)56-51(55-31)43-29-49(57-45-18-8-6-16-39(45)41-22-20-35(27-47(41)57)33-12-10-14-37(25-33)52-3)50(30-44(43)54-5)58-46-19-9-7-17-40(46)42-23-21-36(28-48(42)58)34-13-11-15-38(26-34)53-4/h4-44H;4-34H,1-2H3;6-30H,1-2H3.

What are the key properties of 4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole?

4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole has a molecular weight of 2754.15 g/mol, XLogP of 49.34, 21 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole is sourced from PubChem (CID 159913250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).