About 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarbonitrile;dibenzyl 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarboxylate;4-[3-[4,18-ditert-butyl-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarbonitrile;dibenzyl 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarboxylate;4-[3-[4,18-ditert-butyl-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 157431503) has the molecular formula C290H194B3N23O4
and a molecular weight of 4097.33 g/mol. Its IUPAC name is 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarbonitrile;dibenzyl 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarboxylate;4-[3-[4,18-ditert-butyl-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.
Frequently Asked Questions
What is the IUPAC name of 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarbonitrile;dibenzyl 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarboxylate;4-[3-[4,18-ditert-butyl-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarbonitrile;dibenzyl 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarboxylate;4-[3-[4,18-ditert-butyl-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (CID 157431503) is 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarbonitrile;dibenzyl 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarboxylate;4-[3-[4,18-ditert-butyl-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarbonitrile;dibenzyl 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarboxylate;4-[3-[4,18-ditert-butyl-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarbonitrile;dibenzyl 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarboxylate;4-[3-[4,18-ditert-butyl-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is CC(C)(C)c1ccc2c(c1)B1c3cc(C(C)(C)C)ccc3N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C#N)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(c31)N2c1cc(-c2ccccc2)cc(-c2ccccc2)c1.N#Cc1ccc(-n2c3ccccc3c3cc(-c4cc5c6c(c4)N(c4cc(-c7ccccc7)cc(-c7ccccc7)c4)c4ccc(C(=O)OCc7ccccc7)cc4B6c4cc(C(=O)OCc6ccccc6)ccc4N5c4cc(-c5ccccc5)cc(-c5ccccc5)c4)ccc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.N#Cc1ccc2c(c1)B1c3cc(C#N)ccc3N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C#N)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(c31)N2c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarbonitrile;dibenzyl 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarboxylate;4-[3-[4,18-ditert-butyl-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is BQPAXVFBTATPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H68BN7O4.C96H72BN7.C90H54BN9/c106-65-70-45-49-94(89(53-70)102-108-100(75-39-21-7-22-40-75)107-101(109-102)76-41-23-8-24-42-76)112-92-44-26-25-43-87(92)88-60-77(46-50-93(88)112)84-63-97-99-98(64-84)111(86-58-82(73-35-17-5-18-36-73)55-83(59-86)74-37-19-6-20-38-74)96-52-48-79(104(114)116-67-69-29-11-2-12-30-69)62-91(96)105(99)90-61-78(103(113)115-66-68-27-9-1-10-28-68)47-51-95(90)110(97)85-56-80(71-31-13-3-14-32-71)54-81(57-85)72-33-15-4-16-34-72;1-95(2,3)75-43-47-87-82(59-75)97-83-60-76(96(4,5)6)44-48-88(83)103(78-54-72(65-31-17-9-18-32-65)51-73(55-78)66-33-19-10-20-34-66)90-58-74(57-89(91(90)97)102(87)77-52-70(63-27-13-7-14-28-63)50-71(53-77)64-29-15-8-16-30-64)69-42-46-85-80(56-69)79-39-25-26-40-84(79)104(85)86-45-41-62(61-98)49-81(86)94-100-92(67-35-21-11-22-36-67)99-93(101-94)68-37-23-12-24-38-68;92-55-58-35-39-82(77(43-58)90-96-88(65-29-15-5-16-30-65)95-89(97-90)66-31-17-6-18-32-66)100-80-34-20-19-33-75(80)76-52-67(38-42-81(76)100)72-53-85-87-86(54-72)99(74-50-70(63-25-11-3-12-26-63)47-71(51-74)64-27-13-4-14-28-64)84-41-37-60(57-94)45-79(84)91(87)78-44-59(56-93)36-40-83(78)98(85)73-48-68(61-21-7-1-8-22-61)46-69(49-73)62-23-9-2-10-24-62/h1-64H,66-67H2;7-60H,1-6H3;1-54H.
What are the key properties of 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarbonitrile;dibenzyl 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarboxylate;4-[3-[4,18-ditert-butyl-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarbonitrile;dibenzyl 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarboxylate;4-[3-[4,18-ditert-butyl-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile has a molecular weight of 4097.33 g/mol, XLogP of 65.83, 39 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarbonitrile;dibenzyl 11-[9-[4-cyano-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,18-dicarboxylate;4-[3-[4,18-ditert-butyl-8,14-bis(3,5-diphenylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl]carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 157431503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).