2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole

C329H211N37O — CID 158820310

IUPAC2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4cnc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cnc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4)cc3)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3cnc4c(-n5c6ccccc6c6ccccc65)ccc(-n5c6ccccc6c6ccccc65)c4n3)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4cnc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4)cc3)nc3ccccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cnc6c(-n7c8ccccc8c8ccccc87)ccc(-n7c8ccccc8c8ccccc87)c6n5)cc4)ccc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc3c(-n4c5ccccc5c5ccccc54)ccc(-n4c5ccccc5c5ccccc54)c3nc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C68H42N6.C56H35N5.2C52H33N7.C51H32N6.C50H36N6O/c1-9-25-55-47(17-1)48-18-2-10-26-56(48)71(55)45-37-33-43(34-38-45)65-66(44-35-39-46(40-36-44)72-57-27-11-3-19-49(57)50-20-4-12-28-58(50)72)70-68-64(74-61-31-15-7-23-53(61)54-24-8-16-32-62(54)74)42-41-63(67(68)69-65)73-59-29-13-5-21-51(59)52-22-6-14-30-60(52)73;1-2-14-39(15-3-1)59-47-21-9-8-20-44(47)45-34-38(30-31-52(45)59)36-26-28-37(29-27-36)46-35-57-55-53(60-48-22-10-4-16-40(48)41-17-5-11-23-49(41)60)32-33-54(56(55)58-46)61-50-24-12-6-18-42(50)43-19-7-13-25-51(43)61;1-3-15-35(16-4-1)51-55-56-52(57(51)37-17-5-2-6-18-37)36-29-27-34(28-30-36)42-33-53-49-47(58-43-23-11-7-19-38(43)39-20-8-12-24-44(39)58)31-32-48(50(49)54-42)59-45-25-13-9-21-40(45)41-22-10-14-26-46(41)59;1-3-15-35(16-4-1)51-55-56-52(36-17-5-2-6-18-36)57(51)37-29-27-34(28-30-37)42-33-53-49-47(58-43-23-11-7-19-38(43)39-20-8-12-24-44(39)58)31-32-48(50(49)54-42)59-45-25-13-9-21-40(45)41-22-10-14-26-46(41)59;1-2-14-35(15-3-1)55-46-25-13-8-20-40(46)54-51(55)34-28-26-33(27-29-34)41-32-52-49-47(56-42-21-9-4-16-36(42)37-17-5-10-22-43(37)56)30-31-48(50(49)53-41)57-44-23-11-6-18-38(44)39-19-7-12-24-45(39)57;1-50(2,3)34-26-24-33(25-27-34)49-54-53-48(57-49)32-22-20-31(21-23-32)39-30-51-46-44(55-40-16-8-4-12-35(40)36-13-5-9-17-41(36)55)28-29-45(47(46)52-39)56-42-18-10-6-14-37(42)38-15-7-11-19-43(38)56/h1-42H;1-35H;2*1-33H;1-32H;4-30H,1-3H3
InChIKeyIVUADSLELYIZIU-UHFFFAOYSA-N
MW4698.56 g/mol
LogP81.42
Rot. Bonds33

About 2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole

2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole (PubChem CID 158820310) has the molecular formula C329H211N37O and a molecular weight of 4698.56 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole
PubChem CID158820310
Molecular FormulaC329H211N37O
Molecular Weight4698.56 g/mol
Exact Mass4694.76
IUPAC Name2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4cnc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cnc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4)cc3)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3cnc4c(-n5c6ccccc6c6ccccc65)ccc(-n5c6ccccc6c6ccccc65)c4n3)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4cnc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4)cc3)nc3ccccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cnc6c(-n7c8ccccc8c8ccccc87)ccc(-n7c8ccccc8c8ccccc87)c6n5)cc4)ccc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc3c(-n4c5ccccc5c5ccccc54)ccc(-n4c5ccccc5c5ccccc54)c3nc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C68H42N6.C56H35N5.2C52H33N7.C51H32N6.C50H36N6O/c1-9-25-55-47(17-1)48-18-2-10-26-56(48)71(55)45-37-33-43(34-38-45)65-66(44-35-39-46(40-36-44)72-57-27-11-3-19-49(57)50-20-4-12-28-58(50)72)70-68-64(74-61-31-15-7-23-53(61)54-24-8-16-32-62(54)74)42-41-63(67(68)69-65)73-59-29-13-5-21-51(59)52-22-6-14-30-60(52)73;1-2-14-39(15-3-1)59-47-21-9-8-20-44(47)45-34-38(30-31-52(45)59)36-26-28-37(29-27-36)46-35-57-55-53(60-48-22-10-4-16-40(48)41-17-5-11-23-49(41)60)32-33-54(56(55)58-46)61-50-24-12-6-18-42(50)43-19-7-13-25-51(43)61;1-3-15-35(16-4-1)51-55-56-52(57(51)37-17-5-2-6-18-37)36-29-27-34(28-30-36)42-33-53-49-47(58-43-23-11-7-19-38(43)39-20-8-12-24-44(39)58)31-32-48(50(49)54-42)59-45-25-13-9-21-40(45)41-22-10-14-26-46(41)59;1-3-15-35(16-4-1)51-55-56-52(36-17-5-2-6-18-36)57(51)37-29-27-34(28-30-37)42-33-53-49-47(58-43-23-11-7-19-38(43)39-20-8-12-24-44(39)58)31-32-48(50(49)54-42)59-45-25-13-9-21-40(45)41-22-10-14-26-46(41)59;1-2-14-35(15-3-1)55-46-25-13-8-20-40(46)54-51(55)34-28-26-33(27-29-34)41-32-52-49-47(56-42-21-9-4-16-36(42)37-17-5-10-22-43(37)56)30-31-48(50(49)53-41)57-44-23-11-6-18-38(44)39-19-7-12-24-45(39)57;1-50(2,3)34-26-24-33(25-27-34)49-54-53-48(57-49)32-22-20-31(21-23-32)39-30-51-46-44(55-40-16-8-4-12-35(40)36-13-5-9-17-41(36)55)28-29-45(47(46)52-39)56-42-18-10-6-14-37(42)38-15-7-11-19-43(38)56/h1-42H;1-35H;2*1-33H;1-32H;4-30H,1-3H3
InChIKeyIVUADSLELYIZIU-UHFFFAOYSA-N
XLogP81.42
TPSA346.79 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds33
Heavy Atoms367
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004698.56
LogP ≤ 581.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole with MolForge

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Related Compounds

2,7-Bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2-[4-[4-[2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157826536
16-(4-Imidazo[1,2-a]pyrimidin-2-ylphenyl)-9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;9-[3-methyl-5-(trifluoromethyl)phenyl]-16-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;2-phenyl-5-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)-1,3,4-oxadiazole
CID 158772688
2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3-(trifluoromethyl)phenyl]-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 159951318
2-[3,5-Bis(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-5-naphthalen-1-yl-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;4,7-diphenyl-1,10-phenanthroline;2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propan-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole;4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole;9-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]carbazole
CID 160130312
2,7-Bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 160311315
1-[4,6-Bis(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;9-butan-2-ylcarbazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 161135612
2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-[2'-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-9,9'-spirobi[fluorene]-2-yl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;1,1-dimethyl-2,3,4,5-tetraphenylsilole;7-hexyl-2-(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 161579753
2-[3-[4-[3,5-Diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 90701212
5-(4-Tert-butylphenyl)-3-[2-[3-[1-[3-(4,7-diphenyl-1,10-phenanthrolin-1-ium-1-yl)phenyl]benzimidazol-2-yl]-5-(1-phenylbenzimidazol-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-ium
CID 91238558
3-[2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]-5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-ium
CID 91284928
3,3-Dimethyl-6-(4-methylimidazol-1-yl)-1-(2-methylpyrimidin-5-yl)indol-2-one;3,3-dimethyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-methylpyrimidin-5-yl)indol-2-one
CID 118611607
2,5-Bis[9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-1,3,4-oxadiazole
CID 122594127

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole (CID 158820310) is 2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4cnc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4)cc3)o2)cc1.c1ccc(-c2nnc(-c3ccc(-c4cnc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4)cc3)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3cnc4c(-n5c6ccccc6c6ccccc65)ccc(-n5c6ccccc6c6ccccc65)c4n3)cc2)cc1.c1ccc(-n2c(-c3ccc(-c4cnc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4)cc3)nc3ccccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5cnc6c(-n7c8ccccc8c8ccccc87)ccc(-n7c8ccccc8c8ccccc87)c6n5)cc4)ccc32)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc3c(-n4c5ccccc5c5ccccc54)ccc(-n4c5ccccc5c5ccccc54)c3nc2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole?
The InChIKey is IVUADSLELYIZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N6.C56H35N5.2C52H33N7.C51H32N6.C50H36N6O/c1-9-25-55-47(17-1)48-18-2-10-26-56(48)71(55)45-37-33-43(34-38-45)65-66(44-35-39-46(40-36-44)72-57-27-11-3-19-49(57)50-20-4-12-28-58(50)72)70-68-64(74-61-31-15-7-23-53(61)54-24-8-16-32-62(54)74)42-41-63(67(68)69-65)73-59-29-13-5-21-51(59)52-22-6-14-30-60(52)73;1-2-14-39(15-3-1)59-47-21-9-8-20-44(47)45-34-38(30-31-52(45)59)36-26-28-37(29-27-36)46-35-57-55-53(60-48-22-10-4-16-40(48)41-17-5-11-23-49(41)60)32-33-54(56(55)58-46)61-50-24-12-6-18-42(50)43-19-7-13-25-51(43)61;1-3-15-35(16-4-1)51-55-56-52(57(51)37-17-5-2-6-18-37)36-29-27-34(28-30-36)42-33-53-49-47(58-43-23-11-7-19-38(43)39-20-8-12-24-44(39)58)31-32-48(50(49)54-42)59-45-25-13-9-21-40(45)41-22-10-14-26-46(41)59;1-3-15-35(16-4-1)51-55-56-52(36-17-5-2-6-18-36)57(51)37-29-27-34(28-30-37)42-33-53-49-47(58-43-23-11-7-19-38(43)39-20-8-12-24-44(39)58)31-32-48(50(49)54-42)59-45-25-13-9-21-40(45)41-22-10-14-26-46(41)59;1-2-14-35(15-3-1)55-46-25-13-8-20-40(46)54-51(55)34-28-26-33(27-29-34)41-32-52-49-47(56-42-21-9-4-16-36(42)37-17-5-10-22-43(37)56)30-31-48(50(49)53-41)57-44-23-11-6-18-38(44)39-19-7-12-24-45(39)57;1-50(2,3)34-26-24-33(25-27-34)49-54-53-48(57-49)32-22-20-31(21-23-32)39-30-51-46-44(55-40-16-8-4-12-35(40)36-13-5-9-17-41(36)55)28-29-45(47(46)52-39)56-42-18-10-6-14-37(42)38-15-7-11-19-43(38)56/h1-42H;1-35H;2*1-33H;1-32H;4-30H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole?
2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole has a molecular weight of 4698.56 g/mol, XLogP of 81.42, 33 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-1,3,4-oxadiazole;9-[8-carbazol-9-yl-2,3-bis(4-carbazol-9-ylphenyl)quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]quinoxalin-5-yl]carbazole;9-[8-carbazol-9-yl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxalin-5-yl]carbazole;3-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 158820310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).