9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole

C330H192F30N36 — CID 159455042

IUPAC9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole
SMILESCc1cc(-c2cc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)cc2C#N)cc(C)n1.[C-]#[N+]c1cc(-n2c3cc(C)ccc3c3ccc(C(F)(F)F)cc32)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)cc1-c1cc(C)nc(C)c1.[C-]#[N+]c1cc(-n2c3ccc(C)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)c(-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)cc1-c1cc(C)nc(C)c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc([N+]#[C-])c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3cc([N+]#[C-])c(-c4cc(C)nc(C)c4)cc3-n3c4cc([N+]#[C-])ccc4c4ccc([N+]#[C-])cc43)c2c1
InChIInChI=1S/C52H29F9N4.C52H26N8.C52H38N4.C50H28F6N4.C42H25F9N4.C42H22N8.C40H24F6N4/c1-29-13-17-44-37(21-29)38-24-33(50(53,54)55)14-18-45(38)65(44)49-28-43(62-2)36(32-22-41(30-9-5-3-6-10-30)63-42(23-32)31-11-7-4-8-12-31)27-48(49)64-46-19-15-34(51(56,57)58)25-39(46)40-26-35(52(59,60)61)16-20-47(40)64;1-56-38-16-20-50-43(26-38)42-23-34(31-55)15-19-49(42)60(50)52-28-46(57-2)39(37-24-44(35-9-5-3-6-10-35)58-45(25-37)36-11-7-4-8-12-36)27-51(52)59-47-17-13-32(29-53)21-40(47)41-22-33(30-54)14-18-48(41)59;1-32-14-6-8-16-39(32)36-22-24-43-41-18-10-12-20-47(41)55(49(43)28-36)51-30-45(38-26-34(3)54-35(4)27-38)46(53-5)31-52(51)56-48-21-13-11-19-42(48)44-25-23-37(29-50(44)56)40-17-9-7-15-33(40)2;1-57-42-29-48(60-44-19-11-9-17-36(44)39-27-34(50(54,55)56)21-23-46(39)60)47(59-43-18-10-8-16-35(43)38-26-33(49(51,52)53)20-22-45(38)59)28-37(42)32-24-40(30-12-4-2-5-13-30)58-41(25-32)31-14-6-3-7-15-31;1-21-5-9-28-29-10-6-25(40(43,44)45)16-35(29)54(34(28)13-21)39-20-33(52-4)32(24-14-22(2)53-23(3)15-24)19-38(39)55-36-17-26(41(46,47)48)7-11-30(36)31-12-8-27(18-37(31)55)42(49,50)51;1-24-15-27(16-25(2)48-24)35-21-41(50-39-19-29(45-4)9-13-33(39)34-14-10-30(46-5)20-40(34)50)42(22-36(35)47-6)49-37-17-26(23-43)7-11-31(37)32-12-8-28(44-3)18-38(32)49;1-22-15-24(16-23(2)48-22)32-20-38(50-34-10-6-4-8-29(34)31-14-12-27(19-36(31)50)40(44,45)46)37(17-25(32)21-47)49-33-9-5-3-7-28(33)30-13-11-26(18-35(30)49)39(41,42)43/h3-28H,1H3;3-28H;6-31H,1-4H3;2-29H;5-20H,1-3H3;7-22H,1-2H3;3-20H,1-2H3
InChIKeyLTVZDWWJDMGDLD-UHFFFAOYSA-N
MW5231.36 g/mol
LogP94.69
Rot. Bonds29

About 9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole

9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole (PubChem CID 159455042) has the molecular formula C330H192F30N36 and a molecular weight of 5231.36 g/mol. Its IUPAC name is 9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole
PubChem CID159455042
Molecular FormulaC330H192F30N36
Molecular Weight5231.36 g/mol
Exact Mass5227.57
IUPAC Name9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole
SMILESCc1cc(-c2cc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)cc2C#N)cc(C)n1.[C-]#[N+]c1cc(-n2c3cc(C)ccc3c3ccc(C(F)(F)F)cc32)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)cc1-c1cc(C)nc(C)c1.[C-]#[N+]c1cc(-n2c3ccc(C)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)c(-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)cc1-c1cc(C)nc(C)c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc([N+]#[C-])c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3cc([N+]#[C-])c(-c4cc(C)nc(C)c4)cc3-n3c4cc([N+]#[C-])ccc4c4ccc([N+]#[C-])cc43)c2c1
InChIInChI=1S/C52H29F9N4.C52H26N8.C52H38N4.C50H28F6N4.C42H25F9N4.C42H22N8.C40H24F6N4/c1-29-13-17-44-37(21-29)38-24-33(50(53,54)55)14-18-45(38)65(44)49-28-43(62-2)36(32-22-41(30-9-5-3-6-10-30)63-42(23-32)31-11-7-4-8-12-31)27-48(49)64-46-19-15-34(51(56,57)58)25-39(46)40-26-35(52(59,60)61)16-20-47(40)64;1-56-38-16-20-50-43(26-38)42-23-34(31-55)15-19-49(42)60(50)52-28-46(57-2)39(37-24-44(35-9-5-3-6-10-35)58-45(25-37)36-11-7-4-8-12-36)27-51(52)59-47-17-13-32(29-53)21-40(47)41-22-33(30-54)14-18-48(41)59;1-32-14-6-8-16-39(32)36-22-24-43-41-18-10-12-20-47(41)55(49(43)28-36)51-30-45(38-26-34(3)54-35(4)27-38)46(53-5)31-52(51)56-48-21-13-11-19-42(48)44-25-23-37(29-50(44)56)40-17-9-7-15-33(40)2;1-57-42-29-48(60-44-19-11-9-17-36(44)39-27-34(50(54,55)56)21-23-46(39)60)47(59-43-18-10-8-16-35(43)38-26-33(49(51,52)53)20-22-45(38)59)28-37(42)32-24-40(30-12-4-2-5-13-30)58-41(25-32)31-14-6-3-7-15-31;1-21-5-9-28-29-10-6-25(40(43,44)45)16-35(29)54(34(28)13-21)39-20-33(52-4)32(24-14-22(2)53-23(3)15-24)19-38(39)55-36-17-26(41(46,47)48)7-11-30(36)31-12-8-27(18-37(31)55)42(49,50)51;1-24-15-27(16-25(2)48-24)35-21-41(50-39-19-29(45-4)9-13-33(39)34-14-10-30(46-5)20-40(34)50)42(22-36(35)47-6)49-37-17-26(23-43)7-11-31(37)32-12-8-28(44-3)18-38(32)49;1-22-15-24(16-23(2)48-22)32-20-38(50-34-10-6-4-8-29(34)31-14-12-27(19-36(31)50)40(44,45)46)37(17-25(32)21-47)49-33-9-5-3-7-28(33)30-13-11-26(18-35(30)49)39(41,42)43/h3-28H,1H3;3-28H;6-31H,1-4H3;2-29H;5-20H,1-3H3;7-22H,1-2H3;3-20H,1-2H3
InChIKeyLTVZDWWJDMGDLD-UHFFFAOYSA-N
XLogP94.69
TPSA321.80 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms396
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005231.36
LogP ≤ 594.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole?
The IUPAC name of 9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole (CID 159455042) is 9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole?
The canonical SMILES for 9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole is Cc1cc(-c2cc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)cc2C#N)cc(C)n1.[C-]#[N+]c1cc(-n2c3cc(C)ccc3c3ccc(C(F)(F)F)cc32)c(-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)cc1-c1cc(C)nc(C)c1.[C-]#[N+]c1cc(-n2c3ccc(C)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)c(-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)cc1-c1cc(C)nc(C)c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cc([N+]#[C-])c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3cc([N+]#[C-])c(-c4cc(C)nc(C)c4)cc3-n3c4cc([N+]#[C-])ccc4c4ccc([N+]#[C-])cc43)c2c1.
What is the InChIKey of 9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole?
The InChIKey is LTVZDWWJDMGDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29F9N4.C52H26N8.C52H38N4.C50H28F6N4.C42H25F9N4.C42H22N8.C40H24F6N4/c1-29-13-17-44-37(21-29)38-24-33(50(53,54)55)14-18-45(38)65(44)49-28-43(62-2)36(32-22-41(30-9-5-3-6-10-30)63-42(23-32)31-11-7-4-8-12-31)27-48(49)64-46-19-15-34(51(56,57)58)25-39(46)40-26-35(52(59,60)61)16-20-47(40)64;1-56-38-16-20-50-43(26-38)42-23-34(31-55)15-19-49(42)60(50)52-28-46(57-2)39(37-24-44(35-9-5-3-6-10-35)58-45(25-37)36-11-7-4-8-12-36)27-51(52)59-47-17-13-32(29-53)21-40(47)41-22-33(30-54)14-18-48(41)59;1-32-14-6-8-16-39(32)36-22-24-43-41-18-10-12-20-47(41)55(49(43)28-36)51-30-45(38-26-34(3)54-35(4)27-38)46(53-5)31-52(51)56-48-21-13-11-19-42(48)44-25-23-37(29-50(44)56)40-17-9-7-15-33(40)2;1-57-42-29-48(60-44-19-11-9-17-36(44)39-27-34(50(54,55)56)21-23-46(39)60)47(59-43-18-10-8-16-35(43)38-26-33(49(51,52)53)20-22-45(38)59)28-37(42)32-24-40(30-12-4-2-5-13-30)58-41(25-32)31-14-6-3-7-15-31;1-21-5-9-28-29-10-6-25(40(43,44)45)16-35(29)54(34(28)13-21)39-20-33(52-4)32(24-14-22(2)53-23(3)15-24)19-38(39)55-36-17-26(41(46,47)48)7-11-30(36)31-12-8-27(18-37(31)55)42(49,50)51;1-24-15-27(16-25(2)48-24)35-21-41(50-39-19-29(45-4)9-13-33(39)34-14-10-30(46-5)20-40(34)50)42(22-36(35)47-6)49-37-17-26(23-43)7-11-31(37)32-12-8-28(44-3)18-38(32)49;1-22-15-24(16-23(2)48-22)32-20-38(50-34-10-6-4-8-29(34)31-14-12-27(19-36(31)50)40(44,45)46)37(17-25(32)21-47)49-33-9-5-3-7-28(33)30-13-11-26(18-35(30)49)39(41,42)43/h3-28H,1H3;3-28H;6-31H,1-4H3;2-29H;5-20H,1-3H3;7-22H,1-2H3;3-20H,1-2H3.
What are the key properties of 9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole?
9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole has a molecular weight of 5231.36 g/mol, XLogP of 94.69, 29 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2,7-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(3-cyano-6-isocyanocarbazol-9-yl)-5-(2,6-diphenyl-4-pyridinyl)-4-isocyanophenyl]carbazole-3,6-dicarbonitrile;9-[2-(2,7-diisocyanocarbazol-9-yl)-4-(2,6-dimethyl-4-pyridinyl)-5-isocyanophenyl]-7-isocyanocarbazole-2-carbonitrile;2-(2,6-dimethyl-4-pyridinyl)-4,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile;9-[4-(2,6-dimethyl-4-pyridinyl)-5-isocyano-2-[2-(2-methylphenyl)carbazol-9-yl]phenyl]-2-(2-methylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)carbazole is sourced from PubChem (CID 159455042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).