2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole

C197H120F27N11 — CID 158568133

About 2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole

2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 158568133) has the molecular formula C197H120F27N11 and a molecular weight of 3154.15 g/mol. Its IUPAC name is 2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
• PubChem CID: 158568133
• Molecular Formula: C197H120F27N11
• Molecular Weight: 3154.15 g/mol
• Exact Mass: 3151.93
• IUPAC Name: 2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole
• SMILES: Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C(F)(F)F)c4)ccc2n3-c2cccc(C#N)c2-c2cc(-c3cc(C)cc(C(F)(F)F)c3)ccc2-n2c3ccc(-c4cc(C)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2cc(-c3cc(C)cc(C(F)(F)F)c3)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2cc(-c3ccccc3C#N)ccc21
• InChI: InChI=1S/C77H48F15N3.C61H38F9N3.C59H34F3N5/c1-40-19-41(2)21-51(20-40)45-9-16-68-63(33-45)64-35-47(53-23-43(4)26-57(29-53)74(81,82)83)11-17-69(64)95(68)71-8-6-7-50(39-93)72(71)65-37-49(54-24-44(5)27-58(30-54)75(84,85)86)13-18-70(65)94-66-14-10-46(52-22-42(3)25-56(28-52)73(78,79)80)34-61(66)62-36-48(12-15-67(62)94)55-31-59(76(87,88)89)38-60(32-55)77(90,91)92;1-34-22-40(28-43(25-34)59(62,63)64)37-16-19-54-48(31-37)46-10-5-7-13-52(46)72(54)56-21-18-39(42-24-36(3)27-45(30-42)61(68,69)70)33-50(56)58-51(71-4)12-9-15-57(58)73-53-14-8-6-11-47(53)49-32-38(17-20-55(49)73)41-23-35(2)26-44(29-41)60(65,66)67;1-36-28-42(30-43(29-36)59(60,61)62)37-22-25-56(66-52-19-9-7-16-46(52)48-32-38(23-26-54(48)66)44-14-5-3-12-40(44)34-63)50(31-37)58-51(65-2)18-11-21-57(58)67-53-20-10-8-17-47(53)49-33-39(24-27-55(49)67)45-15-6-4-13-41(45)35-64/h6-38H,1-5H3;5-33H,1-3H3;3-33H,1H3
• InChIKey: HRSVKJMXUNOLLL-UHFFFAOYSA-N
• XLogP: 59.64
• TPSA: 109.67 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3154.15
LogP ≤ 5	59.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole (CID 158568133) is 2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole.

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

The canonical SMILES for 2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole is Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C(F)(F)F)c4)ccc2n3-c2cccc(C#N)c2-c2cc(-c3cc(C)cc(C(F)(F)F)c3)ccc2-n2c3ccc(-c4cc(C)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c1.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2cc(-c3cc(C)cc(C(F)(F)F)c3)ccc21.[C-]#[N+]c1cccc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1-c1cc(-c2cc(C)cc(C(F)(F)F)c2)ccc1-n1c2ccccc2c2cc(-c3ccccc3C#N)ccc21.

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

The InChIKey is HRSVKJMXUNOLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H48F15N3.C61H38F9N3.C59H34F3N5/c1-40-19-41(2)21-51(20-40)45-9-16-68-63(33-45)64-35-47(53-23-43(4)26-57(29-53)74(81,82)83)11-17-69(64)95(68)71-8-6-7-50(39-93)72(71)65-37-49(54-24-44(5)27-58(30-54)75(84,85)86)13-18-70(65)94-66-14-10-46(52-22-42(3)25-56(28-52)73(78,79)80)34-61(66)62-36-48(12-15-67(62)94)55-31-59(76(87,88)89)38-60(32-55)77(90,91)92;1-34-22-40(28-43(25-34)59(62,63)64)37-16-19-54-48(31-37)46-10-5-7-13-52(46)72(54)56-21-18-39(42-24-36(3)27-45(30-42)61(68,69)70)33-50(56)58-51(71-4)12-9-15-57(58)73-53-14-8-6-11-47(53)49-32-38(17-20-55(49)73)41-23-35(2)26-44(29-41)60(65,66)67;1-36-28-42(30-43(29-36)59(60,61)62)37-22-25-56(66-52-19-9-7-16-46(52)48-32-38(23-26-54(48)66)44-14-5-3-12-40(44)34-63)50(31-37)58-51(65-2)18-11-21-57(58)67-53-20-10-8-17-47(53)49-33-39(24-27-55(49)67)45-15-6-4-13-41(45)35-64/h6-38H,1-5H3;5-33H,1-3H3;3-33H,1H3.

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

2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole has a molecular weight of 3154.15 g/mol, XLogP of 59.64, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[3,5-bis(trifluoromethyl)phenyl]-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)carbazol-9-yl]-6-isocyanophenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[2-[2-isocyano-6-[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 158568133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).