4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

C302H162N38 — CID 162168290

IUPAC4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILES[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3cc(-c4c([N+]#[C-])cc(C#N)cc4[N+]#[C-])ccc32)c([N+]#[C-])c1.[C-]#[N+]c1cc([N+]#[C-])cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c([N+]#[C-])c1
InChIInChI=1S/C84H42N12.C80H46N8.C70H36N10.C68H38N8/c1-89-62-26-31-66(76(44-62)91-3)57-24-35-81-72(41-57)73-42-58(67-32-27-63(90-2)45-77(67)92-4)25-36-82(73)96(81)83-43-59(75-46-74(53-13-7-5-8-14-53)93-84(94-75)54-15-9-6-10-16-54)21-30-69(83)68-17-11-12-18-78(68)95-79-33-22-55(64-28-19-51(47-85)37-60(64)49-87)39-70(79)71-40-56(23-34-80(71)95)65-29-20-52(48-86)38-61(65)50-88;1-83-64-34-25-55(26-35-64)61-32-41-77-70(45-61)71-46-62(56-27-36-65(84-2)37-28-56)33-42-78(71)88(77)79-47-63(73-48-72(57-11-5-3-6-12-57)85-80(86-73)58-13-7-4-8-14-58)29-38-67(79)66-15-9-10-16-74(66)87-75-39-30-59(53-21-17-51(49-81)18-22-53)43-68(75)69-44-60(31-40-76(69)87)54-23-19-52(50-82)20-24-54;1-73-50-35-49(42-72)68(61(39-50)76-4)47-28-31-66-55(36-47)53-23-13-16-26-64(53)80(66)67-38-46(58-40-57(44-17-7-5-8-18-44)77-70(78-58)45-19-9-6-10-20-45)27-30-54(67)51-21-11-14-24-62(51)79-63-25-15-12-22-52(63)56-37-48(29-32-65(56)79)69-59(74-2)33-43(41-71)34-60(69)75-3;1-71-52-34-51(35-53(39-52)72-2)48-27-30-66-59(37-48)56-21-11-14-24-64(56)76(66)67-38-49(61-40-60(45-15-5-3-6-16-45)73-68(74-61)46-17-7-4-8-18-46)25-28-57(67)54-19-9-12-22-62(54)75-63-23-13-10-20-55(63)58-36-47(26-29-65(58)75)50-32-43(41-69)31-44(33-50)42-70/h5-46H;3-48H;5-40H;3-40H
InChIKeyZNLAXZQDYCALQI-UHFFFAOYSA-N
MW4322.88 g/mol
LogP78.69
Rot. Bonds36

About 4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 162168290) has the molecular formula C302H162N38 and a molecular weight of 4322.88 g/mol. Its IUPAC name is 4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID162168290
Molecular FormulaC302H162N38
Molecular Weight4322.88 g/mol
Exact Mass4319.38
IUPAC Name4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILES[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3cc(-c4c([N+]#[C-])cc(C#N)cc4[N+]#[C-])ccc32)c([N+]#[C-])c1.[C-]#[N+]c1cc([N+]#[C-])cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c([N+]#[C-])c1
InChIInChI=1S/C84H42N12.C80H46N8.C70H36N10.C68H38N8/c1-89-62-26-31-66(76(44-62)91-3)57-24-35-81-72(41-57)73-42-58(67-32-27-63(90-2)45-77(67)92-4)25-36-82(73)96(81)83-43-59(75-46-74(53-13-7-5-8-14-53)93-84(94-75)54-15-9-6-10-16-54)21-30-69(83)68-17-11-12-18-78(68)95-79-33-22-55(64-28-19-51(47-85)37-60(64)49-87)39-70(79)71-40-56(23-34-80(71)95)65-29-20-52(48-86)38-61(65)50-88;1-83-64-34-25-55(26-35-64)61-32-41-77-70(45-61)71-46-62(56-27-36-65(84-2)37-28-56)33-42-78(71)88(77)79-47-63(73-48-72(57-11-5-3-6-12-57)85-80(86-73)58-13-7-4-8-14-58)29-38-67(79)66-15-9-10-16-74(66)87-75-39-30-59(53-21-17-51(49-81)18-22-53)43-68(75)69-44-60(31-40-76(69)87)54-23-19-52(50-82)20-24-54;1-73-50-35-49(42-72)68(61(39-50)76-4)47-28-31-66-55(36-47)53-23-13-16-26-64(53)80(66)67-38-46(58-40-57(44-17-7-5-8-18-44)77-70(78-58)45-19-9-6-10-20-45)27-30-54(67)51-21-11-14-24-62(51)79-63-25-15-12-22-52(63)56-37-48(29-32-65(56)79)69-59(74-2)33-43(41-71)34-60(69)75-3;1-71-52-34-51(35-53(39-52)72-2)48-27-30-66-59(37-48)56-21-11-14-24-64(56)76(66)67-38-49(61-40-60(45-15-5-3-6-16-45)73-68(74-61)46-17-7-4-8-18-46)25-28-57(67)54-19-9-12-22-62(54)75-63-23-13-10-20-55(63)58-36-47(26-29-65(58)75)50-32-43(41-69)31-44(33-50)42-70/h5-46H;3-48H;5-40H;3-40H
InChIKeyZNLAXZQDYCALQI-UHFFFAOYSA-N
XLogP78.69
TPSA432.78 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds36
Heavy Atoms340
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004322.88
LogP ≤ 578.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile
CID 155761360
4-[6-(4-cyano-2,6-diisocyanophenyl)-9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,6-dicyano-4-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;5-[6-(3-cyano-5-isocyanophenyl)-9-[2-[2-[3-(3-cyano-5-isocyanophenyl)-6-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 159205077
4-[6-(4-cyano-2,6-diisocyanophenyl)-9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,6-dicyano-4-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile
CID 155636544
4-[9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]-3-isocyanobenzonitrile
CID 155636724
4-[9-[2-[3-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile
CID 155761362
4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile;4-[9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-isocyanophenyl)carbazol-3-yl]benzonitrile
CID 159562864
4-[6-(4-cyano-2-isocyanophenyl)-9-[2-[4-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155636603
9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,4-diisocyanophenyl)carbazole
CID 155761293
4-[9-[2-[3-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[9-[2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[4-(2,6-diphenylpyrimidin-4-yl)-2-[3-[3-(2-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 162019043
9-[2-[3-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[6-(2-cyano-4,6-diisocyanophenyl)-9-[2-[3-[3-[3-(4-cyano-2,6-diisocyanophenyl)-6-(2,4-dicyano-6-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]phenyl]phenyl]carbazole
CID 163642892
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
4-[6-(2-cyano-4-isocyanophenyl)-9-[4-[2-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]-5-(4-cyanophenyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-3-isocyanobenzonitrile
CID 153432177

Frequently Asked Questions

What is the IUPAC name of 4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 162168290) is 4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is [C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3cc(-c4c([N+]#[C-])cc(C#N)cc4[N+]#[C-])ccc32)c([N+]#[C-])c1.[C-]#[N+]c1cc([N+]#[C-])cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccccc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccc(-c4ccc(C#N)cc4)cc3c3cc(-c4ccc(C#N)cc4)ccc32)cc1.[C-]#[N+]c1ccc(-c2ccc3c(c2)c2cc(-c4ccc([N+]#[C-])cc4[N+]#[C-])ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-c2ccccc2-n2c3ccc(-c4ccc(C#N)cc4C#N)cc3c3cc(-c4ccc(C#N)cc4C#N)ccc32)c([N+]#[C-])c1.
What is the InChIKey of 4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is ZNLAXZQDYCALQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H42N12.C80H46N8.C70H36N10.C68H38N8/c1-89-62-26-31-66(76(44-62)91-3)57-24-35-81-72(41-57)73-42-58(67-32-27-63(90-2)45-77(67)92-4)25-36-82(73)96(81)83-43-59(75-46-74(53-13-7-5-8-14-53)93-84(94-75)54-15-9-6-10-16-54)21-30-69(83)68-17-11-12-18-78(68)95-79-33-22-55(64-28-19-51(47-85)37-60(64)49-87)39-70(79)71-40-56(23-34-80(71)95)65-29-20-52(48-86)38-61(65)50-88;1-83-64-34-25-55(26-35-64)61-32-41-77-70(45-61)71-46-62(56-27-36-65(84-2)37-28-56)33-42-78(71)88(77)79-47-63(73-48-72(57-11-5-3-6-12-57)85-80(86-73)58-13-7-4-8-14-58)29-38-67(79)66-15-9-10-16-74(66)87-75-39-30-59(53-21-17-51(49-81)18-22-53)43-68(75)69-44-60(31-40-76(69)87)54-23-19-52(50-82)20-24-54;1-73-50-35-49(42-72)68(61(39-50)76-4)47-28-31-66-55(36-47)53-23-13-16-26-64(53)80(66)67-38-46(58-40-57(44-17-7-5-8-18-44)77-70(78-58)45-19-9-6-10-20-45)27-30-54(67)51-21-11-14-24-62(51)79-63-25-15-12-22-52(63)56-37-48(29-32-65(56)79)69-59(74-2)33-43(41-71)34-60(69)75-3;1-71-52-34-51(35-53(39-52)72-2)48-27-30-66-59(37-48)56-21-11-14-24-64(56)76(66)67-38-49(61-40-60(45-15-5-3-6-16-45)73-68(74-61)46-17-7-4-8-18-46)25-28-57(67)54-19-9-12-22-62(54)75-63-23-13-10-20-55(63)58-36-47(26-29-65(58)75)50-32-43(41-69)31-44(33-50)42-70/h5-46H;3-48H;5-40H;3-40H.
What are the key properties of 4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 4322.88 g/mol, XLogP of 78.69, 36 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[2-[2-[3,6-bis(2,4-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;4-[9-[2-[2-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile;4-[9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;5-[9-[2-[2-[3-(3,5-diisocyanophenyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 162168290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).