4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile

C261H146F3N33 — CID 161087203

IUPAC4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ncccc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.N#Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2ncccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1C#N.N#Cc1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1ncccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1cccc(C#N)c1-c1ncccc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ncccc1-n1c2ccccc2c2cc(C#N)ccc21
InChIInChI=1S/C84H50N8.C61H35N7.C40H18N8.C38H23F3N4.C38H20N6/c85-51-52-19-17-36-81(91-77-42-38-53(87-69-28-9-1-20-57(69)58-21-2-10-29-70(58)87)47-65(77)66-48-54(39-43-78(66)91)88-71-30-11-3-22-59(71)60-23-4-12-31-72(60)88)83(52)84-82(37-18-46-86-84)92-79-44-40-55(89-73-32-13-5-24-61(73)62-25-6-14-33-74(62)89)49-67(79)68-50-56(41-45-80(68)92)90-75-34-15-7-26-63(75)64-27-8-16-35-76(64)90;62-36-38-27-30-58(67-54-24-11-5-18-45(54)47-34-39(28-31-56(47)67)65-50-20-7-1-14-41(50)42-15-2-8-21-51(42)65)60(49(38)37-63)61-59(26-13-33-64-61)68-55-25-12-6-19-46(55)48-35-40(29-32-57(48)68)66-52-22-9-3-16-43(52)44-17-4-10-23-53(44)66;1-44-27-10-14-35-31(19-27)32-20-28(45-2)11-15-36(32)47(35)37-6-3-5-26(23-43)39(37)40-38(7-4-16-46-40)48-33-12-8-24(21-41)17-29(33)30-18-25(22-42)9-13-34(30)48;1-23-15-17-32-28(20-23)26-9-2-4-11-30(26)44(32)34-13-6-8-24(22-42)36(34)37-35(14-7-19-43-37)45-31-12-5-3-10-27(31)29-21-25(38(39,40)41)16-18-33(29)45;1-41-26-16-18-34-30(21-26)28-10-3-4-11-31(28)43(34)35-13-6-8-25(23-40)37(35)38-36(14-7-19-42-38)44-32-12-5-2-9-27(32)29-20-24(22-39)15-17-33(29)44/h1-50H;1-35H;3-20H;2-21H,1H3;2-21H
InChIKeyUGRKDPCNRYAFDJ-UHFFFAOYSA-N
MW3801.26 g/mol
LogP65.12
Rot. Bonds21

About 4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile

4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile (PubChem CID 161087203) has the molecular formula C261H146F3N33 and a molecular weight of 3801.26 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
PubChem CID161087203
Molecular FormulaC261H146F3N33
Molecular Weight3801.26 g/mol
Exact Mass3798.24
IUPAC Name4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
SMILESCc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ncccc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.N#Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2ncccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1C#N.N#Cc1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1ncccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1cccc(C#N)c1-c1ncccc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ncccc1-n1c2ccccc2c2cc(C#N)ccc21
InChIInChI=1S/C84H50N8.C61H35N7.C40H18N8.C38H23F3N4.C38H20N6/c85-51-52-19-17-36-81(91-77-42-38-53(87-69-28-9-1-20-57(69)58-21-2-10-29-70(58)87)47-65(77)66-48-54(39-43-78(66)91)88-71-30-11-3-22-59(71)60-23-4-12-31-72(60)88)83(52)84-82(37-18-46-86-84)92-79-44-40-55(89-73-32-13-5-24-61(73)62-25-6-14-33-74(62)89)49-67(79)68-50-56(41-45-80(68)92)90-75-34-15-7-26-63(75)64-27-8-16-35-76(64)90;62-36-38-27-30-58(67-54-24-11-5-18-45(54)47-34-39(28-31-56(47)67)65-50-20-7-1-14-41(50)42-15-2-8-21-51(42)65)60(49(38)37-63)61-59(26-13-33-64-61)68-55-25-12-6-19-46(55)48-35-40(29-32-57(48)68)66-52-22-9-3-16-43(52)44-17-4-10-23-53(44)66;1-44-27-10-14-35-31(19-27)32-20-28(45-2)11-15-36(32)47(35)37-6-3-5-26(23-43)39(37)40-38(7-4-16-46-40)48-33-12-8-24(21-41)17-29(33)30-18-25(22-42)9-13-34(30)48;1-23-15-17-32-28(20-23)26-9-2-4-11-30(26)44(32)34-13-6-8-24(22-42)36(34)37-35(14-7-19-43-37)45-31-12-5-3-10-27(31)29-21-25(38(39,40)41)16-18-33(29)45;1-41-26-16-18-34-30(21-26)28-10-3-4-11-31(28)43(34)35-13-6-8-25(23-40)37(35)38-36(14-7-19-42-38)44-32-12-5-2-9-27(32)29-20-24(22-39)15-17-33(29)44/h1-50H;1-35H;3-20H;2-21H,1H3;2-21H
InChIKeyUGRKDPCNRYAFDJ-UHFFFAOYSA-N
XLogP65.12
TPSA370.52 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003801.26
LogP ≤ 565.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile with MolForge

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Related Compounds

3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 142495144
2-[3-[3-(4-cyanophenyl)carbazol-9-yl]-2-pyridinyl]-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 153455468
3-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 153455433
9-[2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile
CID 153455486
9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[5-(3-cyanophenyl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;3-[3-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile
CID 159051590
4-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-6-isocyanophenyl]-3-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-3-methylbenzonitrile;9-[2-[2-(3-cyanocarbazol-9-yl)-6-isocyanophenyl]-3-(4-cyano-2-methylphenyl)phenyl]carbazole-3-carbonitrile;9-[2-[2-(3-cyano-6-isocyanocarbazol-9-yl)-6-(4-cyano-2-methylphenyl)phenyl]-3-isocyanophenyl]carbazole-3,6-dicarbonitrile;4-[3-[2-isocyano-5-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile;4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
CID 157400802
3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 158525517
9-[3-cyano-2-[2-[4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604119
9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-(trifluoromethyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole
CID 160667861
9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-cyano-4-(3-isocyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 153423014
4-[2-[2-isocyano-6-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-3-(3-methylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
CID 157400805
9-[4-[4-[2-cyano-6-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155604405

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The IUPAC name of 4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile (CID 161087203) is 4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile is Cc1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ncccc1-n1c2ccccc2c2cc(C(F)(F)F)ccc21.N#Cc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-c2ncccc2-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1C#N.N#Cc1cccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1ncccc1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc([N+]#[C-])ccc1n2-c1cccc(C#N)c1-c1ncccc1-n1c2ccc(C#N)cc2c2cc(C#N)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc(C#N)c1-c1ncccc1-n1c2ccccc2c2cc(C#N)ccc21.
What is the InChIKey of 4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The InChIKey is UGRKDPCNRYAFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50N8.C61H35N7.C40H18N8.C38H23F3N4.C38H20N6/c85-51-52-19-17-36-81(91-77-42-38-53(87-69-28-9-1-20-57(69)58-21-2-10-29-70(58)87)47-65(77)66-48-54(39-43-78(66)91)88-71-30-11-3-22-59(71)60-23-4-12-31-72(60)88)83(52)84-82(37-18-46-86-84)92-79-44-40-55(89-73-32-13-5-24-61(73)62-25-6-14-33-74(62)89)49-67(79)68-50-56(41-45-80(68)92)90-75-34-15-7-26-63(75)64-27-8-16-35-76(64)90;62-36-38-27-30-58(67-54-24-11-5-18-45(54)47-34-39(28-31-56(47)67)65-50-20-7-1-14-41(50)42-15-2-8-21-51(42)65)60(49(38)37-63)61-59(26-13-33-64-61)68-55-25-12-6-19-46(55)48-35-40(29-32-57(48)68)66-52-22-9-3-16-43(52)44-17-4-10-23-53(44)66;1-44-27-10-14-35-31(19-27)32-20-28(45-2)11-15-36(32)47(35)37-6-3-5-26(23-43)39(37)40-38(7-4-16-46-40)48-33-12-8-24(21-41)17-29(33)30-18-25(22-42)9-13-34(30)48;1-23-15-17-32-28(20-23)26-9-2-4-11-30(26)44(32)34-13-6-8-24(22-42)36(34)37-35(14-7-19-43-37)45-31-12-5-3-10-27(31)29-21-25(38(39,40)41)16-18-33(29)45;1-41-26-16-18-34-30(21-26)28-10-3-4-11-31(28)43(34)35-13-6-8-25(23-40)37(35)38-36(14-7-19-42-38)44-32-12-5-2-9-27(32)29-20-24(22-39)15-17-33(29)44/h1-50H;1-35H;3-20H;2-21H,1H3;2-21H.
What are the key properties of 4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile has a molecular weight of 3801.26 g/mol, XLogP of 65.12, 21 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylcarbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]benzene-1,2-dicarbonitrile;9-[2-[2-cyano-6-(3,6-diisocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3,6-dicarbonitrile;9-[2-[2-cyano-6-(3-isocyanocarbazol-9-yl)phenyl]-3-pyridinyl]carbazole-3-carbonitrile;3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2-pyridinyl]benzonitrile;3-(3-methylcarbazol-9-yl)-2-[3-[3-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 161087203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).