10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole

C237H155N30O2S+ — CID 157090724

IUPAC10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c(cnn6-c6ccccc6)c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6oc(-c7ccccc7)nc6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)NNN5c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(ncn5-c5ccccc5)c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(oc(-c7ccccc7)[n+]6-c6ccccc6)c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6nc(-c7ccccc7)sc6c54)c3)n2)cc1
InChIInChI=1S/C46H30N5O.C41H27N5.C41H26N4O.C40H25N5S.C35H23N5.C34H24N6/c1-5-16-31(17-6-1)43-47-44(32-18-7-2-8-19-32)49-45(48-43)34-22-15-25-36(30-34)50-39-27-14-13-26-37(39)38-28-29-40-42(41(38)50)52-46(33-20-9-3-10-21-33)51(40)35-23-11-4-12-24-35;1-4-12-28(13-5-1)36-26-37(44-41(43-36)30-14-6-2-7-15-30)29-20-22-31(23-21-29)45-38-19-11-10-18-33(38)34-24-25-39-35(40(34)45)27-42-46(39)32-16-8-3-9-17-32;1-4-12-27(13-5-1)34-26-35(43-40(42-34)29-14-6-2-7-15-29)28-20-22-31(23-21-28)45-36-19-11-10-18-32(36)33-24-25-37-38(39(33)45)44-41(46-37)30-16-8-3-9-17-30;1-4-13-26(14-5-1)37-42-38(27-15-6-2-7-16-27)44-39(43-37)29-19-12-20-30(25-29)45-34-22-11-10-21-31(34)32-23-24-33-36(35(32)45)46-40(41-33)28-17-8-3-9-18-28;1-4-12-24(13-5-1)29-22-32(38-35(37-29)25-14-6-2-7-15-25)40-30-19-11-10-18-27(30)28-20-21-31-33(34(28)40)36-23-39(31)26-16-8-3-9-17-26;1-4-12-23(13-5-1)28-22-31(36-34(35-28)24-14-6-2-7-15-24)39-29-19-11-10-18-26(29)27-20-21-30-32(33(27)39)37-38-40(30)25-16-8-3-9-17-25/h1-30H;1-27H;1-26H;1-25H;1-23H;1-22,37-38H/q+1;;;;;
InChIKeyVUZPIRARCRPRJA-UHFFFAOYSA-N
MW3487.12 g/mol
LogP57.34
Rot. Bonds29

About 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole

10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole (PubChem CID 157090724) has the molecular formula C237H155N30O2S+ and a molecular weight of 3487.12 g/mol. Its IUPAC name is 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole.

Molecular Properties

Compound Name10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole
PubChem CID157090724
Molecular FormulaC237H155N30O2S+
Molecular Weight3487.12 g/mol
Exact Mass3484.27
IUPAC Name10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c(cnn6-c6ccccc6)c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6oc(-c7ccccc7)nc6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)NNN5c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(ncn5-c5ccccc5)c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(oc(-c7ccccc7)[n+]6-c6ccccc6)c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6nc(-c7ccccc7)sc6c54)c3)n2)cc1
InChIInChI=1S/C46H30N5O.C41H27N5.C41H26N4O.C40H25N5S.C35H23N5.C34H24N6/c1-5-16-31(17-6-1)43-47-44(32-18-7-2-8-19-32)49-45(48-43)34-22-15-25-36(30-34)50-39-27-14-13-26-37(39)38-28-29-40-42(41(38)50)52-46(33-20-9-3-10-21-33)51(40)35-23-11-4-12-24-35;1-4-12-28(13-5-1)36-26-37(44-41(43-36)30-14-6-2-7-15-30)29-20-22-31(23-21-29)45-38-19-11-10-18-33(38)34-24-25-39-35(40(34)45)27-42-46(39)32-16-8-3-9-17-32;1-4-12-27(13-5-1)34-26-35(43-40(42-34)29-14-6-2-7-15-29)28-20-22-31(23-21-28)45-36-19-11-10-18-32(36)33-24-25-37-38(39(33)45)44-41(46-37)30-16-8-3-9-17-30;1-4-13-26(14-5-1)37-42-38(27-15-6-2-7-16-27)44-39(43-37)29-19-12-20-30(25-29)45-34-22-11-10-21-31(34)32-23-24-33-36(35(32)45)46-40(41-33)28-17-8-3-9-18-28;1-4-12-24(13-5-1)29-22-32(38-35(37-29)25-14-6-2-7-15-25)40-30-19-11-10-18-27(30)28-20-21-31-33(34(28)40)36-23-39(31)26-16-8-3-9-17-26;1-4-12-23(13-5-1)28-22-31(36-34(35-28)24-14-6-2-7-15-24)39-29-19-11-10-18-26(29)27-20-21-30-32(33(27)39)37-38-40(30)25-16-8-3-9-17-25/h1-30H;1-27H;1-26H;1-25H;1-23H;1-22,37-38H/q+1;;;;;
InChIKeyVUZPIRARCRPRJA-UHFFFAOYSA-N
XLogP57.34
TPSA328.92 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds29
Heavy Atoms270
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003487.12
LogP ≤ 557.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole with MolForge

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Related Compounds

2-[3-Anthracen-9-yl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-[4-anthracen-9-yl-6-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]-1,3-benzoxazole;2-[3-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzothiazole;2-[3-(1,10-phenanthrolin-5-yl)-5-[3-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-[6-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-2-quinoxalin-5-ylpyrimidin-4-yl]-1,3-benzoxazole
CID 161951747
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;6-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,7-naphthyridine;4-tert-butyl-1H-pyrazole;5-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridine;4-tert-butyl-3H-pyrrole;3-tert-butylquinoline;6-tert-butylquinoline;5-tert-butyl-4H-triazole;2-(2,2-dimethylpropyl)pyridine;1-propan-2-ylpyrrolidine;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2,2,2-trifluoro-N-(2,2,4-trimethylpentan-3-yl)acetamide
CID 165077137
5-[17-([1]Benzothiolo[2,3-a]carbazol-12-yl)-4-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-10-yl]-12-[17-phenyl-11-[11-phenyl-12-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[2,3-a]carbazol-5-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8(13),9,11,14,16-nonaen-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 139484324
5-[3-Methyl-2-[1-[[7-[4-methyl-3-[3-(4-methylpiperazin-1-yl)-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]-1,3-benzoxazol-2-yl]methyl]pyrrolidin-2-yl]-4-pyridinyl]-4-(4-methylpiperazin-1-yl)-2-[[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-benzoxazole
CID 145424965
2-[6-(1,3-Benzothiazol-2-yl)-9-[5-(1-phenylbenzimidazol-2-yl)-2-pyridinyl]carbazol-3-yl]-6-phenyl-1,3-benzoxazole
CID 155366774
CID 157059270
CID 157059270
CID 157059656
CID 157059656
6-Tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 157072823
2,4-Diphenyl-8-(15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaen-3-yl)-[1]benzofuro[2,3-d]pyrimidine;2,4-diphenyl-8-(15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaen-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;2-phenyl-4-(15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaen-3-yl)-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-(15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaen-3-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 157114095
4,12-Bis(9-phenylcarbazol-3-yl)-8-oxa-3,5,6,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-selena-3,5,6,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-3,5,6,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;4,12-bis(9-phenylcarbazol-3-yl)-8-thia-3,5,6,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 157126044
pentakis(palladium(2+));11-phenyl-12-pyridin-2-yl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-indolo[2,3-a]carbazol-1-ide;5-phenyl-12-pyridin-2-yl-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-indolo[3,2-c]carbazol-11-ide;12-pyridin-2-yl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-[1]benzofuro[2,3-a]carbazol-1-ide;12-pyridin-2-yl-10-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-11H-[1]benzofuro[3,2-a]carbazol-11-ide;12-pyridin-2-yl-2-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-1H-[1]benzothiolo[2,3-a]carbazol-1-ide
CID 157127129
bis(6-tert-butyl-1H-benzimidazole);bis(5-tert-butyl-1-benzofuran);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;5-tert-butylfuro[3,2-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indene;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157132695

Frequently Asked Questions

What is the IUPAC name of 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole?
The IUPAC name of 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole (CID 157090724) is 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole.
What is the SMILES notation for 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole?
The canonical SMILES for 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c(cnn6-c6ccccc6)c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6oc(-c7ccccc7)nc6c54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)NNN5c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(ncn5-c5ccccc5)c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(oc(-c7ccccc7)[n+]6-c6ccccc6)c54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6nc(-c7ccccc7)sc6c54)c3)n2)cc1.
What is the InChIKey of 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole?
The InChIKey is VUZPIRARCRPRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N5O.C41H27N5.C41H26N4O.C40H25N5S.C35H23N5.C34H24N6/c1-5-16-31(17-6-1)43-47-44(32-18-7-2-8-19-32)49-45(48-43)34-22-15-25-36(30-34)50-39-27-14-13-26-37(39)38-28-29-40-42(41(38)50)52-46(33-20-9-3-10-21-33)51(40)35-23-11-4-12-24-35;1-4-12-28(13-5-1)36-26-37(44-41(43-36)30-14-6-2-7-15-30)29-20-22-31(23-21-29)45-38-19-11-10-18-33(38)34-24-25-39-35(40(34)45)27-42-46(39)32-16-8-3-9-17-32;1-4-12-27(13-5-1)34-26-35(43-40(42-34)29-14-6-2-7-15-29)28-20-22-31(23-21-28)45-36-19-11-10-18-32(36)33-24-25-37-38(39(33)45)44-41(46-37)30-16-8-3-9-17-30;1-4-13-26(14-5-1)37-42-38(27-15-6-2-7-16-27)44-39(43-37)29-19-12-20-30(25-29)45-34-22-11-10-21-31(34)32-23-24-33-36(35(32)45)46-40(41-33)28-17-8-3-9-18-28;1-4-12-24(13-5-1)29-22-32(38-35(37-29)25-14-6-2-7-15-25)40-30-19-11-10-18-27(30)28-20-21-31-33(34(28)40)36-23-39(31)26-16-8-3-9-17-26;1-4-12-23(13-5-1)28-22-31(36-34(35-28)24-14-6-2-7-15-24)39-29-19-11-10-18-26(29)27-20-21-30-32(33(27)39)37-38-40(30)25-16-8-3-9-17-25/h1-30H;1-27H;1-26H;1-25H;1-23H;1-22,37-38H/q+1;;;;;.
What are the key properties of 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole?
10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole has a molecular weight of 3487.12 g/mol, XLogP of 57.34, 29 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,6-diphenylpyrimidin-4-yl)-3-phenyl-1,2-dihydrotriazolo[4,5-a]carbazole;10-(2,6-diphenylpyrimidin-4-yl)-3-phenylimidazo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-a]carbazole;10-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylpyrazolo[4,5-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenyl-[1,3]oxazolo[5,4-a]carbazol-3-ium;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]thiazolo[5,4-a]carbazole is sourced from PubChem (CID 157090724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).