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

C298H170N44 — CID 158829725

IUPAC2,6-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
SMILES[C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)nc(C)n5)cc(-n5c6ccccc6c6ccc(-c7cccc(C#N)c7)cc65)c4C#N)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#N.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1C#N.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3cc(-c4nc(C)nc(C)n4)cc(-n4c5cc(-c6ccccc6C#N)ccc5c5ccc(-c6ccccc6[N+]#[C-])cc54)c3C#N)c2c1.[C-]#[N+]c1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4nc(C)nc(C)n4)cc(-n4c5ccccc5c5ccc(-c6ccccc6[N+]#[C-])cc54)c3C#N)c2c1
InChIInChI=1S/C74H40N10.C64H36N10.C60H34N8.2C50H30N8/c1-78-64-27-15-13-25-57(64)50-31-35-68-61(39-50)59-37-48(55-23-11-9-21-52(55)43-75)29-33-66(59)83(68)70-41-54(74-81-72(46-17-5-3-6-18-46)80-73(82-74)47-19-7-4-8-20-47)42-71(63(70)45-77)84-67-34-30-49(56-24-12-10-22-53(56)44-76)38-60(67)62-40-51(32-36-69(62)84)58-26-14-16-28-65(58)79-2;1-38-70-39(2)72-64(71-38)46-33-62(73-58-29-40(47-15-7-5-13-44(47)35-65)21-25-51(58)53-27-23-42(31-60(53)73)49-17-9-11-19-56(49)68-3)55(37-67)63(34-46)74-59-30-41(48-16-8-6-14-45(48)36-66)22-26-52(59)54-28-24-43(32-61(54)74)50-18-10-12-20-57(50)69-4;1-63-51-25-13-10-22-45(51)41-29-31-55-49(33-41)47-24-12-15-27-53(47)68(55)57-35-43(60-65-58(38-16-4-2-5-17-38)64-59(66-60)39-18-6-3-7-19-39)34-56(50(57)37-62)67-52-26-14-11-23-46(52)48-32-40(28-30-54(48)67)44-21-9-8-20-42(44)36-61;1-30-54-31(2)56-50(55-30)34-27-48(57-44-19-11-7-15-37(44)39-23-21-32(25-46(39)57)35-13-5-9-17-42(35)52-3)41(29-51)49(28-34)58-45-20-12-8-16-38(45)40-24-22-33(26-47(40)58)36-14-6-10-18-43(36)53-4;1-30-54-31(2)56-50(55-30)37-26-48(57-44-16-6-4-14-39(44)41-20-18-35(24-46(41)57)33-11-8-10-32(22-33)28-51)43(29-52)49(27-37)58-45-17-7-5-15-40(45)42-21-19-36(25-47(42)58)34-12-9-13-38(23-34)53-3/h3-42H;5-34H,1-2H3;2-35H;5-28H,1-2H3;4-27H,1-2H3
InChIKeyIWWWCZGMHPVACF-UHFFFAOYSA-N
MW4366.95 g/mol
LogP73.52
Rot. Bonds33

About 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

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 (PubChem CID 158829725) has the molecular formula C298H170N44 and a molecular weight of 4366.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,6-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
PubChem CID158829725
Molecular FormulaC298H170N44
Molecular Weight4366.95 g/mol
Exact Mass4363.47
IUPAC Name2,6-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
SMILES[C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)nc(C)n5)cc(-n5c6ccccc6c6ccc(-c7cccc(C#N)c7)cc65)c4C#N)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#N.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1C#N.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3cc(-c4nc(C)nc(C)n4)cc(-n4c5cc(-c6ccccc6C#N)ccc5c5ccc(-c6ccccc6[N+]#[C-])cc54)c3C#N)c2c1.[C-]#[N+]c1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4nc(C)nc(C)n4)cc(-n4c5ccccc5c5ccc(-c6ccccc6[N+]#[C-])cc54)c3C#N)c2c1
InChIInChI=1S/C74H40N10.C64H36N10.C60H34N8.2C50H30N8/c1-78-64-27-15-13-25-57(64)50-31-35-68-61(39-50)59-37-48(55-23-11-9-21-52(55)43-75)29-33-66(59)83(68)70-41-54(74-81-72(46-17-5-3-6-18-46)80-73(82-74)47-19-7-4-8-20-47)42-71(63(70)45-77)84-67-34-30-49(56-24-12-10-22-53(56)44-76)38-60(67)62-40-51(32-36-69(62)84)58-26-14-16-28-65(58)79-2;1-38-70-39(2)72-64(71-38)46-33-62(73-58-29-40(47-15-7-5-13-44(47)35-65)21-25-51(58)53-27-23-42(31-60(53)73)49-17-9-11-19-56(49)68-3)55(37-67)63(34-46)74-59-30-41(48-16-8-6-14-45(48)36-66)22-26-52(59)54-28-24-43(32-61(54)74)50-18-10-12-20-57(50)69-4;1-63-51-25-13-10-22-45(51)41-29-31-55-49(33-41)47-24-12-15-27-53(47)68(55)57-35-43(60-65-58(38-16-4-2-5-17-38)64-59(66-60)39-18-6-3-7-19-39)34-56(50(57)37-62)67-52-26-14-11-23-46(52)48-32-40(28-30-54(48)67)44-21-9-8-20-42(44)36-61;1-30-54-31(2)56-50(55-30)34-27-48(57-44-19-11-7-15-37(44)39-23-21-32(25-46(39)57)35-13-5-9-17-42(35)52-3)41(29-51)49(28-34)58-45-20-12-8-16-38(45)40-24-22-33(26-47(40)58)36-14-6-10-18-43(36)53-4;1-30-54-31(2)56-50(55-30)37-26-48(57-44-16-6-4-14-39(44)41-20-18-35(24-46(41)57)33-11-8-10-32(22-33)28-51)43(29-52)49(27-37)58-45-17-7-5-15-40(45)42-21-19-36(25-47(42)58)34-12-9-13-38(23-34)53-3/h3-42H;5-34H,1-2H3;2-35H;5-28H,1-2H3;4-27H,1-2H3
InChIKeyIWWWCZGMHPVACF-UHFFFAOYSA-N
XLogP73.52
TPSA539.22 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds33
Heavy Atoms342
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004366.95
LogP ≤ 573.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Related Compounds

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
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
2-[2-(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)-6-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 162119976
4-(3-cyanophenyl)-2,6-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 155646849
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
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
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 140871885
2-[2-(3-cyanophenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-6-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 140846724
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-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 162119979
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5nc(C)nc(C)n5)cc(-n5c6ccccc6c6ccc(-c7cccc(C#N)c7)cc65)c4C#N)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#N.[C-]#[N+]c1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1C#N.[C-]#[N+]c1ccccc1-c1ccc2c3ccc(-c4ccccc4C#N)cc3n(-c3cc(-c4nc(C)nc(C)n4)cc(-n4c5cc(-c6ccccc6C#N)ccc5c5ccc(-c6ccccc6[N+]#[C-])cc54)c3C#N)c2c1.[C-]#[N+]c1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4nc(C)nc(C)n4)cc(-n4c5ccccc5c5ccc(-c6ccccc6[N+]#[C-])cc54)c3C#N)c2c1.
What is the InChIKey of 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?
The InChIKey is IWWWCZGMHPVACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H40N10.C64H36N10.C60H34N8.2C50H30N8/c1-78-64-27-15-13-25-57(64)50-31-35-68-61(39-50)59-37-48(55-23-11-9-21-52(55)43-75)29-33-66(59)83(68)70-41-54(74-81-72(46-17-5-3-6-18-46)80-73(82-74)47-19-7-4-8-20-47)42-71(63(70)45-77)84-67-34-30-49(56-24-12-10-22-53(56)44-76)38-60(67)62-40-51(32-36-69(62)84)58-26-14-16-28-65(58)79-2;1-38-70-39(2)72-64(71-38)46-33-62(73-58-29-40(47-15-7-5-13-44(47)35-65)21-25-51(58)53-27-23-42(31-60(53)73)49-17-9-11-19-56(49)68-3)55(37-67)63(34-46)74-59-30-41(48-16-8-6-14-45(48)36-66)22-26-52(59)54-28-24-43(32-61(54)74)50-18-10-12-20-57(50)69-4;1-63-51-25-13-10-22-45(51)41-29-31-55-49(33-41)47-24-12-15-27-53(47)68(55)57-35-43(60-65-58(38-16-4-2-5-17-38)64-59(66-60)39-18-6-3-7-19-39)34-56(50(57)37-62)67-52-26-14-11-23-46(52)48-32-40(28-30-54(48)67)44-21-9-8-20-42(44)36-61;1-30-54-31(2)56-50(55-30)34-27-48(57-44-19-11-7-15-37(44)39-23-21-32(25-46(39)57)35-13-5-9-17-42(35)52-3)41(29-51)49(28-34)58-45-20-12-8-16-38(45)40-24-22-33(26-47(40)58)36-14-6-10-18-43(36)53-4;1-30-54-31(2)56-50(55-30)37-26-48(57-44-16-6-4-14-39(44)41-20-18-35(24-46(41)57)33-11-8-10-32(22-33)28-51)43(29-52)49(27-37)58-45-17-7-5-15-40(45)42-21-19-36(25-47(42)58)34-12-9-13-38(23-34)53-3/h3-42H;5-34H,1-2H3;2-35H;5-28H,1-2H3;4-27H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 4366.95 g/mol, XLogP of 73.52, 33 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158829725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).