3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile

C306H187F9N34 — CID 157170221

IUPAC3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ncccc2-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ncccc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccccc2c2cc(C#N)ccc21
InChIInChI=1S/3C50H34N4.C40H24F6N4.C40H18N8.C38H23F3N4.C38H20N6/c1-32-10-7-12-35(26-32)37-20-23-46-41(29-37)39-14-3-5-16-44(39)53(46)48-22-19-34(31-51)28-43(48)50-49(18-9-25-52-50)54-45-17-6-4-15-40(45)42-30-38(21-24-47(42)54)36-13-8-11-33(2)27-36;1-32-12-3-5-14-37(32)35-22-25-46-41(29-35)39-16-7-9-18-44(39)53(46)48-24-21-34(31-51)28-43(48)50-49(20-11-27-52-50)54-45-19-10-8-17-40(45)42-30-36(23-26-47(42)54)38-15-6-4-13-33(38)2;1-32-13-18-35(19-14-32)37-22-25-46-41(29-37)39-8-3-5-10-44(39)53(46)48-24-17-34(31-51)28-43(48)50-49(12-7-27-52-50)54-45-11-6-4-9-40(45)42-30-38(23-26-47(42)54)36-20-15-33(2)16-21-36;1-22-5-10-32-27(16-22)28-17-23(2)6-11-33(28)49(32)36-12-7-24(21-47)18-31(36)38-37(4-3-15-48-38)50-34-13-8-25(39(41,42)43)19-29(34)30-20-26(40(44,45)46)9-14-35(30)50;1-44-27-8-13-36-31(19-27)32-20-28(45-2)9-14-37(32)47(36)38-12-7-26(23-43)18-33(38)40-39(4-3-15-46-40)48-34-10-5-24(21-41)16-29(34)30-17-25(22-42)6-11-35(30)48;1-23-12-15-33-28(19-23)26-7-2-4-9-31(26)44(33)35-16-13-24(22-42)20-30(35)37-36(11-6-18-43-37)45-32-10-5-3-8-27(32)29-21-25(38(39,40)41)14-17-34(29)45;1-41-26-14-17-35-30(21-26)28-8-3-4-9-32(28)43(35)36-16-13-25(23-40)20-31(36)38-37(11-6-18-42-38)44-33-10-5-2-7-27(33)29-19-24(22-39)12-15-34(29)44/h3*3-30H,1-2H3;3-20H,1-2H3;3-20H;2-21H,1H3;2-21H
InChIKeyANJKZERLBLPOSO-UHFFFAOYSA-N
MW4511.08 g/mol
LogP78.80
Rot. Bonds27

About 3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile

3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile (PubChem CID 157170221) has the molecular formula C306H187F9N34 and a molecular weight of 4511.08 g/mol. Its IUPAC name is 3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
PubChem CID157170221
Molecular FormulaC306H187F9N34
Molecular Weight4511.08 g/mol
Exact Mass4507.55
IUPAC Name3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ncccc2-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ncccc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccccc2c2cc(C#N)ccc21
InChIInChI=1S/3C50H34N4.C40H24F6N4.C40H18N8.C38H23F3N4.C38H20N6/c1-32-10-7-12-35(26-32)37-20-23-46-41(29-37)39-14-3-5-16-44(39)53(46)48-22-19-34(31-51)28-43(48)50-49(18-9-25-52-50)54-45-17-6-4-15-40(45)42-30-38(21-24-47(42)54)36-13-8-11-33(2)27-36;1-32-12-3-5-14-37(32)35-22-25-46-41(29-35)39-16-7-9-18-44(39)53(46)48-24-21-34(31-51)28-43(48)50-49(20-11-27-52-50)54-45-19-10-8-17-40(45)42-30-36(23-26-47(42)54)38-15-6-4-13-33(38)2;1-32-13-18-35(19-14-32)37-22-25-46-41(29-37)39-8-3-5-10-44(39)53(46)48-24-17-34(31-51)28-43(48)50-49(12-7-27-52-50)54-45-11-6-4-9-40(45)42-30-38(23-26-47(42)54)36-20-15-33(2)16-21-36;1-22-5-10-32-27(16-22)28-17-23(2)6-11-33(28)49(32)36-12-7-24(21-47)18-31(36)38-37(4-3-15-48-38)50-34-13-8-25(39(41,42)43)19-29(34)30-20-26(40(44,45)46)9-14-35(30)50;1-44-27-8-13-36-31(19-27)32-20-28(45-2)9-14-37(32)47(36)38-12-7-26(23-43)18-33(38)40-39(4-3-15-46-40)48-34-10-5-24(21-41)16-29(34)30-17-25(22-42)6-11-35(30)48;1-23-12-15-33-28(19-23)26-7-2-4-9-31(26)44(33)35-16-13-24(22-42)20-30(35)37-36(11-6-18-43-37)45-32-10-5-3-8-27(32)29-21-25(38(39,40)41)14-17-34(29)45;1-41-26-14-17-35-30(21-26)28-8-3-4-9-32(28)43(35)36-16-13-25(23-40)20-31(36)38-37(11-6-18-42-38)44-33-10-5-2-7-27(33)29-19-24(22-39)12-15-34(29)44/h3*3-30H,1-2H3;3-20H,1-2H3;3-20H;2-21H,1H3;2-21H
InChIKeyANJKZERLBLPOSO-UHFFFAOYSA-N
XLogP78.80
TPSA410.23 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms349
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004511.08
LogP ≤ 578.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The IUPAC name of 3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile (CID 157170221) is 3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ncccc2-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2ncccc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1ncccc1-n1c2ccccc2c2cc(C#N)ccc21.
What is the InChIKey of 3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The InChIKey is ANJKZERLBLPOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C50H34N4.C40H24F6N4.C40H18N8.C38H23F3N4.C38H20N6/c1-32-10-7-12-35(26-32)37-20-23-46-41(29-37)39-14-3-5-16-44(39)53(46)48-22-19-34(31-51)28-43(48)50-49(18-9-25-52-50)54-45-17-6-4-15-40(45)42-30-38(21-24-47(42)54)36-13-8-11-33(2)27-36;1-32-12-3-5-14-37(32)35-22-25-46-41(29-35)39-16-7-9-18-44(39)53(46)48-24-21-34(31-51)28-43(48)50-49(20-11-27-52-50)54-45-19-10-8-17-40(45)42-30-36(23-26-47(42)54)38-15-6-4-13-33(38)2;1-32-13-18-35(19-14-32)37-22-25-46-41(29-37)39-8-3-5-10-44(39)53(46)48-24-17-34(31-51)28-43(48)50-49(12-7-27-52-50)54-45-11-6-4-9-40(45)42-30-38(23-26-47(42)54)36-20-15-33(2)16-21-36;1-22-5-10-32-27(16-22)28-17-23(2)6-11-33(28)49(32)36-12-7-24(21-47)18-31(36)38-37(4-3-15-48-38)50-34-13-8-25(39(41,42)43)19-29(34)30-20-26(40(44,45)46)9-14-35(30)50;1-44-27-8-13-36-31(19-27)32-20-28(45-2)9-14-37(32)47(36)38-12-7-26(23-43)18-33(38)40-39(4-3-15-46-40)48-34-10-5-24(21-41)16-29(34)30-17-25(22-42)6-11-35(30)48;1-23-12-15-33-28(19-23)26-7-2-4-9-31(26)44(33)35-16-13-24(22-42)20-30(35)37-36(11-6-18-43-37)45-32-10-5-3-8-27(32)29-21-25(38(39,40)41)14-17-34(29)45;1-41-26-14-17-35-30(21-26)28-8-3-4-9-32(28)43(35)36-16-13-25(23-40)20-31(36)38-37(11-6-18-42-38)44-33-10-5-2-7-27(33)29-19-24(22-39)12-15-34(29)44/h3*3-30H,1-2H3;3-20H,1-2H3;3-20H;2-21H,1H3;2-21H.
What are the key properties of 3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile has a molecular weight of 4511.08 g/mol, XLogP of 78.80, 27 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile;9-[2-[5-cyano-2-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;4-(3-methylcarbazol-9-yl)-3-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(2-methylphenyl)carbazol-9-yl]-3-[3-[3-(2-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(3-methylphenyl)carbazol-9-yl]-3-[3-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile;4-[3-(4-methylphenyl)carbazol-9-yl]-3-[3-[3-(4-methylphenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 157170221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).