9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole

C188H116F30N12 — CID 159152968

About 9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole

9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole (PubChem CID 159152968) has the molecular formula C188H116F30N12 and a molecular weight of 3113.02 g/mol. Its IUPAC name is 9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole
• PubChem CID: 159152968
• Molecular Formula: C188H116F30N12
• Molecular Weight: 3113.02 g/mol
• Exact Mass: 3110.90
• IUPAC Name: 9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole
• SMILES: [C-]#[N+]c1cc(-n2c3cc(-c4ccc(C(F)(F)F)cc4C)ccc3c3ccc(-c4ccc(C)cc4C(F)(F)F)cc32)c(-n2c3cc(-c4ccc(C)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C)cc4C(F)(F)F)cc32)cc1-c1ccncc1.[C-]#[N+]c1cc(-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)c(-n2c3ccc(-c4cc(C)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)cc1-c1ccncc1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C)ccc32)c(-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1-c1ccncc1
• InChI: InChI=1S/C68H42F12N4.C68H45F9N4.C52H29F9N4/c1-36-6-14-47(55(26-36)66(72,73)74)42-10-18-51-52-19-11-43(48-15-7-37(2)27-56(48)67(75,76)77)32-61(52)83(60(51)31-42)63-34-54(40-22-24-82-25-23-40)58(81-5)35-64(63)84-59-30-41(46-21-13-45(29-39(46)4)65(69,70)71)9-17-50(59)53-20-12-44(33-62(53)84)49-16-8-38(3)28-57(49)68(78,79)80;1-37-19-38(2)21-47(20-37)43-7-11-62-55(31-43)58-34-46(50-24-41(5)27-53(30-50)68(75,76)77)10-14-63(58)81(62)65-36-59(78-6)54(42-15-17-79-18-16-42)35-64(65)80-60-12-8-44(48-22-39(3)25-51(28-48)66(69,70)71)32-56(60)57-33-45(9-13-61(57)80)49-23-40(4)26-52(29-49)67(72,73)74;1-29-23-33(50(53,54)55)13-15-35(29)31-11-17-47-40(24-31)37-7-4-6-10-45(37)65(47)49-28-43(62-2)39(30-19-21-63-22-20-30)27-48(49)64-44-9-5-3-8-38(44)41-25-32(12-18-46(41)64)36-16-14-34(51(56,57)58)26-42(36)52(59,60)61/h6-35H,1-4H3;7-36H,1-5H3;3-28H,1H3
• InChIKey: KJNOFBPZEPXKND-UHFFFAOYSA-N
• XLogP: 58.42
• TPSA: 81.33 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3113.02
LogP ≤ 5	58.42
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 9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole?

The IUPAC name of 9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole (CID 159152968) is 9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole.

What is the SMILES notation for 9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole?

The canonical SMILES for 9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole is [C-]#[N+]c1cc(-n2c3cc(-c4ccc(C(F)(F)F)cc4C)ccc3c3ccc(-c4ccc(C)cc4C(F)(F)F)cc32)c(-n2c3cc(-c4ccc(C)cc4C(F)(F)F)ccc3c3ccc(-c4ccc(C)cc4C(F)(F)F)cc32)cc1-c1ccncc1.[C-]#[N+]c1cc(-n2c3ccc(-c4cc(C)cc(C)c4)cc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)c(-n2c3ccc(-c4cc(C)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C)cc(C(F)(F)F)c4)ccc32)cc1-c1ccncc1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C)ccc32)c(-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1-c1ccncc1.

What is the InChIKey of 9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole?

The InChIKey is KJNOFBPZEPXKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42F12N4.C68H45F9N4.C52H29F9N4/c1-36-6-14-47(55(26-36)66(72,73)74)42-10-18-51-52-19-11-43(48-15-7-37(2)27-56(48)67(75,76)77)32-61(52)83(60(51)31-42)63-34-54(40-22-24-82-25-23-40)58(81-5)35-64(63)84-59-30-41(46-21-13-45(29-39(46)4)65(69,70)71)9-17-50(59)53-20-12-44(33-62(53)84)49-16-8-38(3)28-57(49)68(78,79)80;1-37-19-38(2)21-47(20-37)43-7-11-62-55(31-43)58-34-46(50-24-41(5)27-53(30-50)68(75,76)77)10-14-63(58)81(62)65-36-59(78-6)54(42-15-17-79-18-16-42)35-64(65)80-60-12-8-44(48-22-39(3)25-51(28-48)66(69,70)71)32-56(60)57-33-45(9-13-61(57)80)49-23-40(4)26-52(29-49)67(72,73)74;1-29-23-33(50(53,54)55)13-15-35(29)31-11-17-47-40(24-31)37-7-4-6-10-45(37)65(47)49-28-43(62-2)39(30-19-21-63-22-20-30)27-48(49)64-44-9-5-3-8-38(44)41-25-32(12-18-46(41)64)36-16-14-34(51(56,57)58)26-42(36)52(59,60)61/h6-35H,1-4H3;7-36H,1-5H3;3-28H,1H3.

What are the key properties of 9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole?

9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole has a molecular weight of 3113.02 g/mol, XLogP of 58.42, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[3,6-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-3-(3,5-dimethylphenyl)-6-[3-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[2-[2,7-bis[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]-5-isocyano-4-pyridin-4-ylphenyl]-2-[2-methyl-4-(trifluoromethyl)phenyl]-7-[4-methyl-2-(trifluoromethyl)phenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-isocyano-2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazole is sourced from PubChem (CID 159152968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).