2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile

C248H140F12N32 — CID 158152568

IUPAC2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
SMILES[C-]#[N+]c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5cccc(C#N)c5)ccc43)c2C(F)(F)F)c1.[C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)nc(C)n5)cc(-n5c6ccccc6c6ccc(-c7cccc(C#N)c7)cc65)c4C(F)(F)F)c3c2)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4[N+]#[C-])ccc32)c1C(F)(F)F.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3cc(-c4nc(C)nc(C)n4)cc(-n4c5cc(-c6ccccc6C#N)ccc5c5ccc(-c6ccccc6[N+]#[C-])cc54)c3C(F)(F)F)c2c1
InChIInChI=1S/C74H40F3N9.C64H36F3N9.C60H34F3N7.C50H30F3N7/c1-80-62-27-15-13-25-56(62)49-31-35-66-60(39-49)58-37-47(54-23-11-9-21-51(54)43-78)29-33-64(58)85(66)68-41-53(73-83-71(45-17-5-3-6-18-45)82-72(84-73)46-19-7-4-8-20-46)42-69(70(68)74(75,76)77)86-65-34-30-48(55-24-12-10-22-52(55)44-79)38-59(65)61-40-50(32-36-67(61)86)57-26-14-16-28-63(57)81-2;1-37-72-38(2)74-63(73-37)45-33-60(75-56-29-39(46-15-7-5-13-43(46)35-68)21-25-50(56)52-27-23-41(31-58(52)75)48-17-9-11-19-54(48)70-3)62(64(65,66)67)61(34-45)76-57-30-40(47-16-8-6-14-44(47)36-69)22-26-51(57)53-28-24-42(32-59(53)76)49-18-10-12-20-55(49)71-4;1-65-45-21-13-20-41(31-45)43-27-29-53-49(33-43)47-23-9-11-25-51(47)70(53)55-35-44(59-67-57(38-15-4-2-5-16-38)66-58(68-59)39-17-6-3-7-18-39)34-54(56(55)60(61,62)63)69-50-24-10-8-22-46(50)48-32-42(26-28-52(48)69)40-19-12-14-37(30-40)36-64;1-29-56-30(2)58-49(57-29)36-26-46(59-42-16-6-4-14-38(42)40-20-18-34(24-44(40)59)32-11-8-10-31(22-32)28-54)48(50(51,52)53)47(27-36)60-43-17-7-5-15-39(43)41-21-19-35(25-45(41)60)33-12-9-13-37(23-33)55-3/h3-42H;5-34H,1-2H3;2-35H;4-27H,1-2H3
InChIKeyFVHHRXHZUHNGQY-UHFFFAOYSA-N
MW3796.05 g/mol
LogP65.45
Rot. Bonds28

About 2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile

2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile (PubChem CID 158152568) has the molecular formula C248H140F12N32 and a molecular weight of 3796.05 g/mol. Its IUPAC name is 2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile.

Molecular Properties

Compound Name2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
PubChem CID158152568
Molecular FormulaC248H140F12N32
Molecular Weight3796.05 g/mol
Exact Mass3793.17
IUPAC Name2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
SMILES[C-]#[N+]c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5cccc(C#N)c5)ccc43)c2C(F)(F)F)c1.[C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)nc(C)n5)cc(-n5c6ccccc6c6ccc(-c7cccc(C#N)c7)cc65)c4C(F)(F)F)c3c2)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4[N+]#[C-])ccc32)c1C(F)(F)F.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3cc(-c4nc(C)nc(C)n4)cc(-n4c5cc(-c6ccccc6C#N)ccc5c5ccc(-c6ccccc6[N+]#[C-])cc54)c3C(F)(F)F)c2c1
InChIInChI=1S/C74H40F3N9.C64H36F3N9.C60H34F3N7.C50H30F3N7/c1-80-62-27-15-13-25-56(62)49-31-35-66-60(39-49)58-37-47(54-23-11-9-21-51(54)43-78)29-33-64(58)85(66)68-41-53(73-83-71(45-17-5-3-6-18-45)82-72(84-73)46-19-7-4-8-20-46)42-69(70(68)74(75,76)77)86-65-34-30-48(55-24-12-10-22-52(55)44-79)38-59(65)61-40-50(32-36-67(61)86)57-26-14-16-28-63(57)81-2;1-37-72-38(2)74-63(73-37)45-33-60(75-56-29-39(46-15-7-5-13-43(46)35-68)21-25-50(56)52-27-23-41(31-58(52)75)48-17-9-11-19-54(48)70-3)62(64(65,66)67)61(34-45)76-57-30-40(47-16-8-6-14-44(47)36-69)22-26-51(57)53-28-24-42(32-59(53)76)49-18-10-12-20-55(49)71-4;1-65-45-21-13-20-41(31-45)43-27-29-53-49(33-43)47-23-9-11-25-51(47)70(53)55-35-44(59-67-57(38-15-4-2-5-16-38)66-58(68-59)39-17-6-3-7-18-39)34-54(56(55)60(61,62)63)69-50-24-10-8-22-46(50)48-32-42(26-28-52(48)69)40-19-12-14-37(30-40)36-64;1-29-56-30(2)58-49(57-29)36-26-46(59-42-16-6-4-14-38(42)40-20-18-34(24-44(40)59)32-11-8-10-31(22-32)28-54)48(50(51,52)53)47(27-36)60-43-17-7-5-15-39(43)41-21-19-35(25-45(41)60)33-12-9-13-37(23-33)55-3/h3-42H;5-34H,1-2H3;2-35H;4-27H,1-2H3
InChIKeyFVHHRXHZUHNGQY-UHFFFAOYSA-N
XLogP65.45
TPSA363.02 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms292
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003796.05
LogP ≤ 565.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile with MolForge

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Related Compounds

2,6-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;2,6-bis[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-[2-(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile;2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,6-bis[2-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 158829725
2-[9-[2-[2-[3,6-bis(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 157378710
4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole
CID 160887427
3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 161096795
3-[9-[4-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile
CID 159348703
2,6-bis[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 157118113
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 140871885
3-[9-[2-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-(3-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[2-[2-[3-(3-cyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]benzonitrile;2-[9-[2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-[2-[3-(2-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzonitrile;4-[9-[2-[5-(4,6-diphenylpyrimidin-2-yl)-2-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 159553292
3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 154603206
2-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;3-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;2-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile
CID 160593949
3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile;3-[9-[2-[2-isocyano-6-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 157340547
3-[3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]benzonitrile
CID 146238097

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile?
The IUPAC name of 2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile (CID 158152568) is 2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile.
What is the SMILES notation for 2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile?
The canonical SMILES for 2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile is [C-]#[N+]c1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5cccc(C#N)c5)ccc43)c2C(F)(F)F)c1.[C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)nc(C)n5)cc(-n5c6ccccc6c6ccc(-c7cccc(C#N)c7)cc65)c4C(F)(F)F)c3c2)c1.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4[N+]#[C-])ccc32)c1C(F)(F)F.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3cc(-c4nc(C)nc(C)n4)cc(-n4c5cc(-c6ccccc6C#N)ccc5c5ccc(-c6ccccc6[N+]#[C-])cc54)c3C(F)(F)F)c2c1.
What is the InChIKey of 2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile?
The InChIKey is FVHHRXHZUHNGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H40F3N9.C64H36F3N9.C60H34F3N7.C50H30F3N7/c1-80-62-27-15-13-25-56(62)49-31-35-66-60(39-49)58-37-47(54-23-11-9-21-51(54)43-78)29-33-64(58)85(66)68-41-53(73-83-71(45-17-5-3-6-18-45)82-72(84-73)46-19-7-4-8-20-46)42-69(70(68)74(75,76)77)86-65-34-30-48(55-24-12-10-22-52(55)44-79)38-59(65)61-40-50(32-36-67(61)86)57-26-14-16-28-63(57)81-2;1-37-72-38(2)74-63(73-37)45-33-60(75-56-29-39(46-15-7-5-13-43(46)35-68)21-25-50(56)52-27-23-41(31-58(52)75)48-17-9-11-19-54(48)70-3)62(64(65,66)67)61(34-45)76-57-30-40(47-16-8-6-14-44(47)36-69)22-26-51(57)53-28-24-42(32-59(53)76)49-18-10-12-20-55(49)71-4;1-65-45-21-13-20-41(31-45)43-27-29-53-49(33-43)47-23-9-11-25-51(47)70(53)55-35-44(59-67-57(38-15-4-2-5-16-38)66-58(68-59)39-17-6-3-7-18-39)34-54(56(55)60(61,62)63)69-50-24-10-8-22-46(50)48-32-42(26-28-52(48)69)40-19-12-14-37(30-40)36-64;1-29-56-30(2)58-49(57-29)36-26-46(59-42-16-6-4-14-38(42)40-20-18-34(24-44(40)59)32-11-8-10-31(22-32)28-54)48(50(51,52)53)47(27-36)60-43-17-7-5-15-39(43)41-21-19-35(25-45(41)60)33-12-9-13-37(23-33)55-3/h3-42H;5-34H,1-2H3;2-35H;4-27H,1-2H3.
What are the key properties of 2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile?
2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile has a molecular weight of 3796.05 g/mol, XLogP of 65.45, 28 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile is sourced from PubChem (CID 158152568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).