About 9-[9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diisocyanophenyl]pyrimidin-4-yl]benzonitrile
9-[9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diisocyanophenyl]pyrimidin-4-yl]benzonitrile (PubChem CID 159100708) has the molecular formula C186H99N27
and a molecular weight of 2712.03 g/mol. Its IUPAC name is 9-[9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diisocyanophenyl]pyrimidin-4-yl]benzonitrile.
Analyze 9-[9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diisocyanophenyl]pyrimidin-4-yl]benzonitrile with MolForge
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Frequently Asked Questions
What is the IUPAC name of 9-[9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diisocyanophenyl]pyrimidin-4-yl]benzonitrile?
The IUPAC name of 9-[9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diisocyanophenyl]pyrimidin-4-yl]benzonitrile (CID 159100708) is 9-[9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diisocyanophenyl]pyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 9-[9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diisocyanophenyl]pyrimidin-4-yl]benzonitrile?
The canonical SMILES for 9-[9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diisocyanophenyl]pyrimidin-4-yl]benzonitrile is [C-]#[N+]c1cc(-c2cc(-c3ccc(C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc([N+]#[C-])c1-n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc1n2-c1ccc(-c2cc(-c3ccccc3[N+]#[C-])nc(-c3ccccc3[N+]#[C-])n2)cc1.[C-]#[N+]c1cccc(-c2cc(-c3ccc(-n4c5ccc(-n6c7ccccc7c7cc(C#N)ccc76)cc5c5cc(-n6c7ccccc7c7cc([N+]#[C-])ccc76)ccc54)cc3)nc(-c3cccc([N+]#[C-])c3)n2)c1.
What is the InChIKey of 9-[9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diisocyanophenyl]pyrimidin-4-yl]benzonitrile?
The InChIKey is KDFWTWZKTMRJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C62H33N9/c1-64-40-23-29-59-49(33-40)45-13-7-11-19-57(45)71(59)43-27-31-61-51(35-43)50-34-42(70-56-18-10-6-12-44(56)48-32-38(37-63)20-28-58(48)70)26-30-60(50)69(61)41-24-21-39(22-25-41)54-36-55(46-14-4-8-16-52(46)65-2)68-62(67-54)47-15-5-9-17-53(47)66-3;1-65-53-31-42(52-35-51(40-23-19-38(36-63)20-24-40)67-62(68-52)41-25-21-39(37-64)22-26-41)32-54(66-2)61(53)71-59-29-27-43(69-55-15-7-3-11-45(55)46-12-4-8-16-56(46)69)33-49(59)50-34-44(28-30-60(50)71)70-57-17-9-5-13-47(57)48-14-6-10-18-58(48)70;1-64-42-12-8-10-40(31-42)55-36-54(67-62(68-55)41-11-9-13-43(32-41)65-2)39-19-22-45(23-20-39)69-60-28-24-46(70-56-16-6-4-14-48(56)50-30-38(37-63)18-26-58(50)70)34-52(60)53-35-47(25-29-61(53)69)71-57-17-7-5-15-49(57)51-33-44(66-3)21-27-59(51)71/h4-36H;3-35H;4-36H.
What are the key properties of 9-[9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diisocyanophenyl]pyrimidin-4-yl]benzonitrile?
9-[9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diisocyanophenyl]pyrimidin-4-yl]benzonitrile has a molecular weight of 2712.03 g/mol, XLogP of 48.20, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;9-[9-[4-[2,6-bis(3-isocyanophenyl)pyrimidin-4-yl]phenyl]-6-(3-isocyanocarbazol-9-yl)carbazol-3-yl]carbazole-3-carbonitrile;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3,5-diisocyanophenyl]pyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 159100708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).