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

C342H196N54 — CID 163642892

IUPAC9-[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
SMILES[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccc(-c6c(C#N)cc(C#N)cc6[N+]#[C-])cc5c5cc(-c6c([N+]#[C-])cc(C#N)cc6[N+]#[C-])ccc54)c3)c2)c([N+]#[C-])c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc65)c4)cc(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccccc6c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc65)c4)cc(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c3)n2)cc1
InChIInChI=1S/C132H82N20.C108H50N20.C102H64N14/c1-13-38-83(39-14-1)115-133-116(84-40-15-2-16-41-84)140-127(139-115)97-64-69-110(152-113-72-67-100(130-145-121(89-50-25-7-26-51-89)136-122(146-130)90-52-27-8-28-53-90)81-108(113)109-82-101(68-73-114(109)152)131-147-123(91-54-29-9-30-55-91)137-124(148-131)92-56-31-10-32-57-92)105(78-97)96-63-37-62-95(74-96)102-75-103(132-149-125(93-58-33-11-34-59-93)138-126(150-132)94-60-35-12-36-61-94)77-104(76-102)151-111-70-65-98(128-141-117(85-42-17-3-18-43-85)134-118(142-128)86-44-19-4-20-45-86)79-106(111)107-80-99(66-71-112(107)151)129-143-119(87-46-21-5-22-47-87)135-120(144-129)88-48-23-6-24-49-88;1-115-82-48-81(62-114)101(93(56-82)120-6)74-32-38-98-88(53-74)87-52-73(100-80(61-113)41-64(58-110)43-90(100)117-3)31-37-97(87)128(98)94-39-34-76(107-123-103(66-20-11-7-12-21-66)121-104(124-107)67-22-13-8-14-23-67)55-84(94)71-29-19-28-70(46-71)77-47-78(108-125-105(68-24-15-9-16-25-68)122-106(126-108)69-26-17-10-18-27-69)50-83(49-77)127-95-35-30-72(99-79(60-112)40-63(57-109)42-89(99)116-2)51-85(95)86-54-75(33-36-96(86)127)102-91(118-4)44-65(59-111)45-92(102)119-5;1-9-30-65(31-10-1)91-103-92(66-32-11-2-12-33-66)108-99(107-91)75-52-55-88(116-87-51-28-26-49-82(87)85-64-77(54-57-90(85)116)101-111-95(69-38-17-5-18-39-69)105-96(112-101)70-40-19-6-20-41-70)83(62-75)74-47-29-46-73(58-74)78-59-79(102-113-97(71-42-21-7-22-43-71)106-98(114-102)72-44-23-8-24-45-72)61-80(60-78)115-86-50-27-25-48-81(86)84-63-76(53-56-89(84)115)100-109-93(67-34-13-3-14-35-67)104-94(110-100)68-36-15-4-16-37-68/h1-82H;7-56H;1-64H
InChIKeyIFUACJCFKKRKGD-UHFFFAOYSA-N
MW5061.71 g/mol
LogP81.08
Rot. Bonds52

About 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

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 (PubChem CID 163642892) has the molecular formula C342H196N54 and a molecular weight of 5061.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID163642892
Molecular FormulaC342H196N54
Molecular Weight5061.71 g/mol
Exact Mass5057.70
IUPAC Name9-[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
SMILES[C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccc(-c6c(C#N)cc(C#N)cc6[N+]#[C-])cc5c5cc(-c6c([N+]#[C-])cc(C#N)cc6[N+]#[C-])ccc54)c3)c2)c([N+]#[C-])c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc65)c4)cc(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccccc6c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc65)c4)cc(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c3)n2)cc1
InChIInChI=1S/C132H82N20.C108H50N20.C102H64N14/c1-13-38-83(39-14-1)115-133-116(84-40-15-2-16-41-84)140-127(139-115)97-64-69-110(152-113-72-67-100(130-145-121(89-50-25-7-26-51-89)136-122(146-130)90-52-27-8-28-53-90)81-108(113)109-82-101(68-73-114(109)152)131-147-123(91-54-29-9-30-55-91)137-124(148-131)92-56-31-10-32-57-92)105(78-97)96-63-37-62-95(74-96)102-75-103(132-149-125(93-58-33-11-34-59-93)138-126(150-132)94-60-35-12-36-61-94)77-104(76-102)151-111-70-65-98(128-141-117(85-42-17-3-18-43-85)134-118(142-128)86-44-19-4-20-45-86)79-106(111)107-80-99(66-71-112(107)151)129-143-119(87-46-21-5-22-47-87)135-120(144-129)88-48-23-6-24-49-88;1-115-82-48-81(62-114)101(93(56-82)120-6)74-32-38-98-88(53-74)87-52-73(100-80(61-113)41-64(58-110)43-90(100)117-3)31-37-97(87)128(98)94-39-34-76(107-123-103(66-20-11-7-12-21-66)121-104(124-107)67-22-13-8-14-23-67)55-84(94)71-29-19-28-70(46-71)77-47-78(108-125-105(68-24-15-9-16-25-68)122-106(126-108)69-26-17-10-18-27-69)50-83(49-77)127-95-35-30-72(99-79(60-112)40-63(57-109)42-89(99)116-2)51-85(95)86-54-75(33-36-96(86)127)102-91(118-4)44-65(59-111)45-92(102)119-5;1-9-30-65(31-10-1)91-103-92(66-32-11-2-12-33-66)108-99(107-91)75-52-55-88(116-87-51-28-26-49-82(87)85-64-77(54-57-90(85)116)101-111-95(69-38-17-5-18-39-69)105-96(112-101)70-40-19-6-20-41-70)83(62-75)74-47-29-46-73(58-74)78-59-79(102-113-97(71-42-21-7-22-43-71)106-98(114-102)72-44-23-8-24-45-72)61-80(60-78)115-86-50-27-25-48-81(86)84-63-76(53-56-89(84)115)100-109-93(67-34-13-3-14-35-67)104-94(110-100)68-36-15-4-16-37-68/h1-82H;7-56H;1-64H
InChIKeyIFUACJCFKKRKGD-UHFFFAOYSA-N
XLogP81.08
TPSA662.52 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds52
Heavy Atoms396
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005061.71
LogP ≤ 581.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 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 with MolForge

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Related Compounds

4-[9-[3-[3-[4-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile
CID 162500719
4-[9-[4-[3-[4-[3-(2-cyano-4,6-diisocyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile
CID 162500623
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-[6-(4-cyano-2,6-diisocyanophenyl)-9-[4-[3-[4-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,6-dicyano-4-isocyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile
CID 162500744
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
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-[6-(4-cyano-2,6-diisocyanophenyl)-9-[2-[2-[3-(2-cyano-4,6-diisocyanophenyl)-6-(2,6-dicyano-4-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile
CID 156679323
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-[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-(2-cyano-4,6-diisocyanophenyl)-9-[2-(3-cyanophenyl)-4-(2,6-diphenylpyrimidin-4-yl)-6-(3-isocyanophenyl)phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile;2-[9-[2-(3-cyanophenyl)-4-(2,6-diphenylpyrimidin-4-yl)-6-(3-isocyanophenyl)phenyl]carbazol-3-yl]-3,5-diisocyanobenzonitrile;3-[5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(3-isocyanophenyl)phenyl]benzonitrile
CID 162066802
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 162500537
4-[9-[2-(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile
CID 155761235

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [C-]#[N+]c1cc(C#N)c(-c2ccc3c(c2)c2cc(-c4c(C#N)cc(C#N)cc4[N+]#[C-])ccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccc(-c6c(C#N)cc(C#N)cc6[N+]#[C-])cc5c5cc(-c6c([N+]#[C-])cc(C#N)cc6[N+]#[C-])ccc54)c3)c2)c([N+]#[C-])c1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc65)c4)cc(-n4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5-n5c6ccccc6c6cc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)ccc65)c4)cc(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is IFUACJCFKKRKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H82N20.C108H50N20.C102H64N14/c1-13-38-83(39-14-1)115-133-116(84-40-15-2-16-41-84)140-127(139-115)97-64-69-110(152-113-72-67-100(130-145-121(89-50-25-7-26-51-89)136-122(146-130)90-52-27-8-28-53-90)81-108(113)109-82-101(68-73-114(109)152)131-147-123(91-54-29-9-30-55-91)137-124(148-131)92-56-31-10-32-57-92)105(78-97)96-63-37-62-95(74-96)102-75-103(132-149-125(93-58-33-11-34-59-93)138-126(150-132)94-60-35-12-36-61-94)77-104(76-102)151-111-70-65-98(128-141-117(85-42-17-3-18-43-85)134-118(142-128)86-44-19-4-20-45-86)79-106(111)107-80-99(66-71-112(107)151)129-143-119(87-46-21-5-22-47-87)135-120(144-129)88-48-23-6-24-49-88;1-115-82-48-81(62-114)101(93(56-82)120-6)74-32-38-98-88(53-74)87-52-73(100-80(61-113)41-64(58-110)43-90(100)117-3)31-37-97(87)128(98)94-39-34-76(107-123-103(66-20-11-7-12-21-66)121-104(124-107)67-22-13-8-14-23-67)55-84(94)71-29-19-28-70(46-71)77-47-78(108-125-105(68-24-15-9-16-25-68)122-106(126-108)69-26-17-10-18-27-69)50-83(49-77)127-95-35-30-72(99-79(60-112)40-63(57-109)42-89(99)116-2)51-85(95)86-54-75(33-36-96(86)127)102-91(118-4)44-65(59-111)45-92(102)119-5;1-9-30-65(31-10-1)91-103-92(66-32-11-2-12-33-66)108-99(107-91)75-52-55-88(116-87-51-28-26-49-82(87)85-64-77(54-57-90(85)116)101-111-95(69-38-17-5-18-39-69)105-96(112-101)70-40-19-6-20-41-70)83(62-75)74-47-29-46-73(58-74)78-59-79(102-113-97(71-42-21-7-22-43-71)106-98(114-102)72-44-23-8-24-45-72)61-80(60-78)115-86-50-27-25-48-81(86)84-63-76(53-56-89(84)115)100-109-93(67-34-13-3-14-35-67)104-94(110-100)68-36-15-4-16-37-68/h1-82H;7-56H;1-64H.
What are the key properties of 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?
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 has a molecular weight of 5061.71 g/mol, XLogP of 81.08, 52 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163642892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).