9-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole

C186H92F48N18 — CID 157091668

About 9-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole

9-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole (PubChem CID 157091668) has the molecular formula C186H92F48N18 and a molecular weight of 3490.81 g/mol. Its IUPAC name is 9-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole
• PubChem CID: 157091668
• Molecular Formula: C186H92F48N18
• Molecular Weight: 3490.81 g/mol
• Exact Mass: 3488.70
• IUPAC Name: 9-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole
• SMILES: [C-]#[N+]c1cc(-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3c(C(F)(F)F)cc(C(F)(F)F)cc32)cc1-c1nc(C)nc(C)n1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(-n2c3ccccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C62H28F24N6.2C62H32F12N6/c1-26-88-27(2)90-54(89-26)43-24-50(92-49-9-6-30(33-14-38(59(75,76)77)21-39(15-33)60(78,79)80)18-44(49)53-45(62(84,85)86)22-40(23-52(53)92)61(81,82)83)51(25-46(43)87-3)91-47-7-4-28(31-10-34(55(63,64)65)19-35(11-31)56(66,67)68)16-41(47)42-17-29(5-8-48(42)91)32-12-36(57(69,70)71)20-37(13-32)58(72,73)74;1-75-49-33-55(80-51-19-11-9-17-43(51)45-29-37(21-27-53(45)80)41-25-23-39(60(66,67)68)31-48(41)62(72,73)74)54(32-46(49)58-77-56(34-12-4-2-5-13-34)76-57(78-58)35-14-6-3-7-15-35)79-50-18-10-8-16-42(50)44-28-36(20-26-52(44)79)40-24-22-38(59(63,64)65)30-47(40)61(69,70)71;1-75-49-33-55(80-51-19-11-9-17-43(51)45-25-21-37(29-53(45)80)41-27-23-39(60(66,67)68)31-48(41)62(72,73)74)54(32-46(49)58-77-56(34-12-4-2-5-13-34)76-57(78-58)35-14-6-3-7-15-35)79-50-18-10-8-16-42(50)44-24-20-36(28-52(44)79)40-26-22-38(59(63,64)65)30-47(40)61(69,70)71/h4-25H,1-2H3;2*2-33H
• InChIKey: AESUMRYLXTVNPS-UHFFFAOYSA-N
• XLogP: 60.11
• TPSA: 158.67 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3490.81
LogP ≤ 5	60.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole?

The IUPAC name of 9-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole (CID 157091668) is 9-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole.

What is the SMILES notation for 9-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole?

The canonical SMILES for 9-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole is [C-]#[N+]c1cc(-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)c(-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3c(C(F)(F)F)cc(C(F)(F)F)cc32)cc1-c1nc(C)nc(C)n1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(-n2c3ccccc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(-n2c3ccccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

What is the InChIKey of 9-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole?

The InChIKey is AESUMRYLXTVNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H28F24N6.2C62H32F12N6/c1-26-88-27(2)90-54(89-26)43-24-50(92-49-9-6-30(33-14-38(59(75,76)77)21-39(15-33)60(78,79)80)18-44(49)53-45(62(84,85)86)22-40(23-52(53)92)61(81,82)83)51(25-46(43)87-3)91-47-7-4-28(31-10-34(55(63,64)65)19-35(11-31)56(66,67)68)16-41(47)42-17-29(5-8-48(42)91)32-12-36(57(69,70)71)20-37(13-32)58(72,73)74;1-75-49-33-55(80-51-19-11-9-17-43(51)45-29-37(21-27-53(45)80)41-25-23-39(60(66,67)68)31-48(41)62(72,73)74)54(32-46(49)58-77-56(34-12-4-2-5-13-34)76-57(78-58)35-14-6-3-7-15-35)79-50-18-10-8-16-42(50)44-28-36(20-26-52(44)79)40-24-22-38(59(63,64)65)30-47(40)61(69,70)71;1-75-49-33-55(80-51-19-11-9-17-43(51)45-25-21-37(29-53(45)80)41-27-23-39(60(66,67)68)31-48(41)62(72,73)74)54(32-46(49)58-77-56(34-12-4-2-5-13-34)76-57(78-58)35-14-6-3-7-15-35)79-50-18-10-8-16-42(50)44-24-20-36(28-52(44)79)40-26-22-38(59(63,64)65)30-47(40)61(69,70)71/h4-25H,1-2H3;2*2-33H.

What are the key properties of 9-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole?

9-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole has a molecular weight of 3490.81 g/mol, XLogP of 60.11, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(trifluoromethyl)carbazole;2-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[2-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole;3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isocyanophenyl]carbazole is sourced from PubChem (CID 157091668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).