3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile

C248H151F6N35 — CID 158191150

IUPAC3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESCn1c2ccccc2c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc7c8ccccc8n(C)c7c65)c4-c4ccccc4C(F)(F)F)c3c21.N#Cc1cc(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-c2ccccc2C(F)(F)F)c(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c1.[C-]#[N+]c1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccccc2C)c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C98H58F3N15.C98H61N15.C52H32F3N5/c99-98(100,101)78-44-26-25-43-77(78)85-83(115-79-55-69(94-107-86(61-27-9-1-10-28-61)103-87(108-94)62-29-11-2-12-30-62)45-49-73(79)74-50-46-70(56-80(74)115)95-109-88(63-31-13-3-14-32-63)104-89(110-95)64-33-15-4-16-34-64)53-60(59-102)54-84(85)116-81-57-71(96-111-90(65-35-17-5-18-36-65)105-91(112-96)66-37-19-6-20-38-66)47-51-75(81)76-52-48-72(58-82(76)116)97-113-92(67-39-21-7-22-40-67)106-93(114-97)68-41-23-8-24-42-68;1-61-29-27-28-46-75(61)86-84(112-80-51-47-70(95-104-87(62-30-11-3-12-31-62)100-88(105-95)63-32-13-4-14-33-63)55-76(80)77-56-71(48-52-81(77)112)96-106-89(64-34-15-5-16-35-64)101-90(107-96)65-36-17-6-18-37-65)59-74(99-2)60-85(86)113-82-53-49-72(97-108-91(66-38-19-7-20-39-66)102-92(109-97)67-40-21-8-22-41-67)57-78(82)79-58-73(50-54-83(79)113)98-110-93(68-42-23-9-24-43-68)103-94(111-98)69-44-25-10-26-45-69;1-57-41-19-9-4-13-31(41)35-23-25-37-33-15-6-11-21-43(33)59(50(37)48(35)57)45-27-30(29-56)28-46(47(45)39-17-3-8-18-40(39)52(53,54)55)60-44-22-12-7-16-34(44)38-26-24-36-32-14-5-10-20-42(32)58(2)49(36)51(38)60/h1-58H;3-60H,1H3;3-28H,1-2H3
InChIKeyFZTPLZIGANDDIQ-UHFFFAOYSA-N
MW3735.17 g/mol
LogP60.06
Rot. Bonds33

About 3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile

3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 158191150) has the molecular formula C248H151F6N35 and a molecular weight of 3735.17 g/mol. Its IUPAC name is 3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID158191150
Molecular FormulaC248H151F6N35
Molecular Weight3735.17 g/mol
Exact Mass3732.28
IUPAC Name3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESCn1c2ccccc2c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc7c8ccccc8n(C)c7c65)c4-c4ccccc4C(F)(F)F)c3c21.N#Cc1cc(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-c2ccccc2C(F)(F)F)c(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c1.[C-]#[N+]c1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccccc2C)c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C98H58F3N15.C98H61N15.C52H32F3N5/c99-98(100,101)78-44-26-25-43-77(78)85-83(115-79-55-69(94-107-86(61-27-9-1-10-28-61)103-87(108-94)62-29-11-2-12-30-62)45-49-73(79)74-50-46-70(56-80(74)115)95-109-88(63-31-13-3-14-32-63)104-89(110-95)64-33-15-4-16-34-64)53-60(59-102)54-84(85)116-81-57-71(96-111-90(65-35-17-5-18-36-65)105-91(112-96)66-37-19-6-20-38-66)47-51-75(81)76-52-48-72(58-82(76)116)97-113-92(67-39-21-7-22-40-67)106-93(114-97)68-41-23-8-24-42-68;1-61-29-27-28-46-75(61)86-84(112-80-51-47-70(95-104-87(62-30-11-3-12-31-62)100-88(105-95)63-32-13-4-14-33-63)55-76(80)77-56-71(48-52-81(77)112)96-106-89(64-34-15-5-16-35-64)101-90(107-96)65-36-17-6-18-37-65)59-74(99-2)60-85(86)113-82-53-49-72(97-108-91(66-38-19-7-20-39-66)102-92(109-97)67-40-21-8-22-41-67)57-78(82)79-58-73(50-54-83(79)113)98-110-93(68-42-23-9-24-43-68)103-94(111-98)69-44-25-10-26-45-69;1-57-41-19-9-4-13-31(41)35-23-25-37-33-15-6-11-21-43(33)59(50(37)48(35)57)45-27-30(29-56)28-46(47(45)39-17-3-8-18-40(39)52(53,54)55)60-44-22-12-7-16-34(44)38-26-24-36-32-14-5-10-20-42(32)58(2)49(36)51(38)60/h1-58H;3-60H,1H3;3-28H,1-2H3
InChIKeyFZTPLZIGANDDIQ-UHFFFAOYSA-N
XLogP60.06
TPSA400.74 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds33
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003735.17
LogP ≤ 560.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile with MolForge

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Related Compounds

3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386791
3,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386806
3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386429
4-[4-cyano-2-(trifluoromethyl)phenyl]-3,5-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 142414332
4-[2,6-bis(trifluoromethyl)phenyl]-3,5-bis[2-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 146519834
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134300604
2,6-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 161471761
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138729186
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile
CID 155656599
5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 158282073
3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-5-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]benzonitrile;3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-5-[2-(4-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-5-[3-(4-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]benzonitrile
CID 159127545
3-[3-(4-cyanophenyl)carbazol-9-yl]-5-[3-(4-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-4-(trifluoromethyl)phenyl]benzonitrile
CID 159127547

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile (CID 158191150) is 3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile is Cn1c2ccccc2c2ccc3c4ccccc4n(-c4cc(C#N)cc(-n5c6ccccc6c6ccc7c8ccccc8n(C)c7c65)c4-c4ccccc4C(F)(F)F)c3c21.N#Cc1cc(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c(-c2ccccc2C(F)(F)F)c(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)c1.[C-]#[N+]c1cc(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c(-c2ccccc2C)c(-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c1.
What is the InChIKey of 3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is FZTPLZIGANDDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H58F3N15.C98H61N15.C52H32F3N5/c99-98(100,101)78-44-26-25-43-77(78)85-83(115-79-55-69(94-107-86(61-27-9-1-10-28-61)103-87(108-94)62-29-11-2-12-30-62)45-49-73(79)74-50-46-70(56-80(74)115)95-109-88(63-31-13-3-14-32-63)104-89(110-95)64-33-15-4-16-34-64)53-60(59-102)54-84(85)116-81-57-71(96-111-90(65-35-17-5-18-36-65)105-91(112-96)66-37-19-6-20-38-66)47-51-75(81)76-52-48-72(58-82(76)116)97-113-92(67-39-21-7-22-40-67)106-93(114-97)68-41-23-8-24-42-68;1-61-29-27-28-46-75(61)86-84(112-80-51-47-70(95-104-87(62-30-11-3-12-31-62)100-88(105-95)63-32-13-4-14-33-63)55-76(80)77-56-71(48-52-81(77)112)96-106-89(64-34-15-5-16-35-64)101-90(107-96)65-36-17-6-18-37-65)59-74(99-2)60-85(86)113-82-53-49-72(97-108-91(66-38-19-7-20-39-66)102-92(109-97)67-40-21-8-22-41-67)57-78(82)79-58-73(50-54-83(79)113)98-110-93(68-42-23-9-24-43-68)103-94(111-98)69-44-25-10-26-45-69;1-57-41-19-9-4-13-31(41)35-23-25-37-33-15-6-11-21-43(33)59(50(37)48(35)57)45-27-30(29-56)28-46(47(45)39-17-3-8-18-40(39)52(53,54)55)60-44-22-12-7-16-34(44)38-26-24-36-32-14-5-10-20-42(32)58(2)49(36)51(38)60/h1-58H;3-60H,1H3;3-28H,1-2H3.
What are the key properties of 3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile?
3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 3735.17 g/mol, XLogP of 60.06, 33 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyano-2-(2-methylphenyl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,5-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 158191150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).