9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide

C182H146Ir4N15PtSSi2-4 — CID 157066806

IUPAC9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.C[Si](C)(C)c1ccc2c(c1)-c1ccc([Si](C)(C)C)c[n+]1C2.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir+3].[Ir].[Ir].[Ir].[Pt+2].[c-]1cccc2sc3cccnc3c12.[c-]1ccccc1-c1cc2c3cc4c5ccccc5n(-c5ccccc5)c4cc3n(-c3ccccc3)c2cn1.[c-]1ccccc1-c1ccc2c(n1)N1c3nc(-c4[c-]cccc4)ccc3Cc3cccc(c31)C2.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1[CH-]N(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C35H22N3.C30H19N3.C27H20N2.C21H23N2.C18H26NSi2.C18H14N.C11H6NS.2C11H8N.4Ir.Pt/c1-4-12-24(13-5-1)31-21-30-29-20-28-27-18-10-11-19-32(27)37(25-14-6-2-7-15-25)33(28)22-34(29)38(35(30)23-36-31)26-16-8-3-9-17-26;1-3-8-20(9-4-1)26-16-14-24-18-22-12-7-13-23-19-25-15-17-27(21-10-5-2-6-11-21)32-30(25)33(28(22)23)29(24)31-26;1-5-13-22(14-6-1)26-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)21-28(26)24-17-9-3-10-18-24;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-20(2,3)15-8-7-14-12-19-13-16(21(4,5)6)9-10-18(19)17(14)11-15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h1-12,14-23H;1-8,10,12-17H,18-19H2;1-19,21H;5-9,11-16H,1-4H3;7-11,13H,12H2,1-6H3;2-10,12-13H,1H3;1-3,5-7H;2*1-6,8-9H;;;;;/q-1;2*-2;-1;+1;4*-1;;;;+3;+2
InChIKeyVWLXXGGSEMIFES-UHFFFAOYSA-N
MW3595.46 g/mol
LogP43.43
Rot. Bonds19

About 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide

9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide (PubChem CID 157066806) has the molecular formula C182H146Ir4N15PtSSi2-4 and a molecular weight of 3595.46 g/mol. Its IUPAC name is 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide.

Molecular Properties

Compound Name9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide
PubChem CID157066806
Molecular FormulaC182H146Ir4N15PtSSi2-4
Molecular Weight3595.46 g/mol
Exact Mass3595.93
IUPAC Name9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide
SMILESCC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.C[Si](C)(C)c1ccc2c(c1)-c1ccc([Si](C)(C)C)c[n+]1C2.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir+3].[Ir].[Ir].[Ir].[Pt+2].[c-]1cccc2sc3cccnc3c12.[c-]1ccccc1-c1cc2c3cc4c5ccccc5n(-c5ccccc5)c4cc3n(-c3ccccc3)c2cn1.[c-]1ccccc1-c1ccc2c(n1)N1c3nc(-c4[c-]cccc4)ccc3Cc3cccc(c31)C2.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1[CH-]N(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C35H22N3.C30H19N3.C27H20N2.C21H23N2.C18H26NSi2.C18H14N.C11H6NS.2C11H8N.4Ir.Pt/c1-4-12-24(13-5-1)31-21-30-29-20-28-27-18-10-11-19-32(27)37(25-14-6-2-7-15-25)33(28)22-34(29)38(35(30)23-36-31)26-16-8-3-9-17-26;1-3-8-20(9-4-1)26-16-14-24-18-22-12-7-13-23-19-25-15-17-27(21-10-5-2-6-11-21)32-30(25)33(28(22)23)29(24)31-26;1-5-13-22(14-6-1)26-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)21-28(26)24-17-9-3-10-18-24;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-20(2,3)15-8-7-14-12-19-13-16(21(4,5)6)9-10-18(19)17(14)11-15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h1-12,14-23H;1-8,10,12-17H,18-19H2;1-19,21H;5-9,11-16H,1-4H3;7-11,13H,12H2,1-6H3;2-10,12-13H,1H3;1-3,5-7H;2*1-6,8-9H;;;;;/q-1;2*-2;-1;+1;4*-1;;;;+3;+2
InChIKeyVWLXXGGSEMIFES-UHFFFAOYSA-N
XLogP43.43
TPSA131.51 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003595.46
LogP ≤ 543.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide with MolForge

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Related Compounds

iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzothiolo[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156671773
CID 157598985
CID 157598985
6-[1-(4-tert-butyl-2-phenylphenyl)-5-fluorobenzimidazol-2-yl]-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;5-fluoro-8-[1-(4-fluoro-3-phenylphenyl)benzimidazol-2-yl]-2-(2-phenylpropan-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-[4-(4-fluorophenyl)-2,6-dimethylphenyl]benzimidazol-2-yl]-2-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;2-fluoro-3-phenyl-8-[1-(4-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzothiolo[3,2-c]isoquinolin-9-ide;tris(trimethyl-(6-phenyl-3-pyridinyl)germane);tris(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 158112530
6,7-difluoro-3-[4-fluoro-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,10-difluoro-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethyl-4-phenylphenyl)-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-[2,6-di(propan-2-yl)phenyl]-6,7-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-(1,1,2,2-tetrafluoropropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158363781
8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 158417411
3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;10-(carbazol-9-ylmethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;10-[(9-ethylcarbazol-3-yl)methyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;10-[6-(9-ethylcarbazol-3-yl)-2-pyridinyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-[(9-phenylcarbazol-3-yl)methyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158509663
4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline;bis(4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-10-fluorobenzo[g]quinazoline);tris(iridium);1-methyl-3-phenyl-2H-benzimidazol-1-ium-2-ide;bis(1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide);tris(2-phenylpyridine)
CID 159719523
2,3-dimethyl-7-pentyl-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9,11-difluoro-7-pentyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-10-fluoro-9-methyl-7-pentyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-9-methyl-7-pentyl-12H-imidazo[1,2-f]phenanthridin-12-ide;10-fluoro-2,3-dimethyl-7-pentyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)
CID 161542037
bis(4-(3H-1-benzothiophen-3-id-2-yl)-10-(trifluoromethyl)benzo[g]quinazoline);bis(4-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-10-fluorobenzo[g]quinazoline);tetrakis(iridium);bis(1-methyl-3-phenyl-2H-benzimidazol-1-ium-2-ide);bis(1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide);tetrakis(2-phenylpyridine)
CID 162136409
Iridium(3+);bis(2-phenyl-1-(2,4,6-trimethylphenyl)imidazole);8-[4-[4-[8-[4-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]hexan-2-yl]pyrido[3,2-b]indol-5-yl]phenyl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58947509
Iridium(3+);2-(4-methylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;5-methyl-2-(4-methylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)imidazole;8-[3-methyl-4-[2-methyl-4-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]phenyl]-4-[1-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]pentan-3-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59196746
CID 59358983
CID 59358983

Frequently Asked Questions

What is the IUPAC name of 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide?
The IUPAC name of 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide (CID 157066806) is 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide.
What is the SMILES notation for 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide?
The canonical SMILES for 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.C[Si](C)(C)c1ccc2c(c1)-c1ccc([Si](C)(C)C)c[n+]1C2.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir+3].[Ir].[Ir].[Ir].[Pt+2].[c-]1cccc2sc3cccnc3c12.[c-]1ccccc1-c1cc2c3cc4c5ccccc5n(-c5ccccc5)c4cc3n(-c3ccccc3)c2cn1.[c-]1ccccc1-c1ccc2c(n1)N1c3nc(-c4[c-]cccc4)ccc3Cc3cccc(c31)C2.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1N1[CH-]N(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide?
The InChIKey is VWLXXGGSEMIFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N3.C30H19N3.C27H20N2.C21H23N2.C18H26NSi2.C18H14N.C11H6NS.2C11H8N.4Ir.Pt/c1-4-12-24(13-5-1)31-21-30-29-20-28-27-18-10-11-19-32(27)37(25-14-6-2-7-15-25)33(28)22-34(29)38(35(30)23-36-31)26-16-8-3-9-17-26;1-3-8-20(9-4-1)26-16-14-24-18-22-12-7-13-23-19-25-15-17-27(21-10-5-2-6-11-21)32-30(25)33(28(22)23)29(24)31-26;1-5-13-22(14-6-1)26-27(23-15-7-2-8-16-23)29(25-19-11-4-12-20-25)21-28(26)24-17-9-3-10-18-24;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-20(2,3)15-8-7-14-12-19-13-16(21(4,5)6)9-10-18(19)17(14)11-15;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h1-12,14-23H;1-8,10,12-17H,18-19H2;1-19,21H;5-9,11-16H,1-4H3;7-11,13H,12H2,1-6H3;2-10,12-13H,1H3;1-3,5-7H;2*1-6,8-9H;;;;;/q-1;2*-2;-1;+1;4*-1;;;;+3;+2.
What are the key properties of 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide?
9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide has a molecular weight of 3595.46 g/mol, XLogP of 43.43, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-[1]benzothiolo[3,2-b]pyridin-9-ide;10,14-diphenyl-6-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaene;4,18-di(phenyl)-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tris(iridium);iridium(3+);4-methyl-5-phenyl-2-phenylpyridine;bis(2-phenylpyridine);platinum(2+);trimethyl-(3-trimethylsilyl-6H-pyrido[2,1-a]isoindol-5-ium-9-yl)silane;1,4,5-triphenyl-3-phenyl-2H-imidazol-2-ide is sourced from PubChem (CID 157066806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).