10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane

C447H385F2Ir7N23O3S2Si7-14 — CID 157117365

IUPAC10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]cc4sc5cc(-c6ccccc6)ccc5c4c3)nc3c4ccccc4ccc32)c(-c2ccccc2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]cc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)nc2cc3ccccc3cc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccc(-c5ccc(F)cc5)cc4c3c2)nc2ccc3ccccc3c21.CCn1c2c[c-]c(-c3nc4cc5c(ccc6ccccc65)cc4n3-c3c(C)cc(-c4ccccc4)cc3C)cc2c2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)c3ccccc3)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])(c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]c1c([2H])c([2H])c(-c2cc(-c3[c-]cccc3)ncc2[Si](C)(C)C)c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2oc3ccc4ccccc4c3c2cc1-c1nc2c3ccccc3ccc2n1-c1ccc(-c2ccccc2)cc1-c1ccccc1.[c-]1cc2oc3ccccc3c2cc1-c1nc2ccc3ccccc3c2n1-c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1cc2sc3ccccc3c2cc1-c1nc2c3ccccc3ccc2n1-c1ccccc1-c1ccccc1
InChIInChI=1S/C49H36N3.C47H36FN2O.C45H27N2O.C45H33N2S.C43H32N3.C41H25N2O.C35H21N2S.C24H28NSi.C21H22NSi.C20H20NSi.C20H28NSi.C19H25FNSi.2C19H26NSi.7Ir/c1-49(2,3)41-24-14-23-39(32-15-6-4-7-16-32)47(41)52-45-31-35-19-11-10-18-34(35)30-42(45)50-48(52)36-26-27-43-40(29-36)46-38-22-13-12-17-33(38)25-28-44(46)51(43)37-20-8-5-9-21-37;1-28(2)38-26-35(30-10-6-5-7-11-30)27-39(29(3)4)45(38)50-46-37-13-9-8-12-32(37)16-21-42(46)49-47(50)34-18-23-44-41(25-34)40-24-33(17-22-43(40)51-44)31-14-19-36(48)20-15-31;1-3-11-29(12-4-1)33-20-23-39(37(27-33)30-13-5-2-6-14-30)47-40-24-19-32-16-8-10-18-36(32)44(40)46-45(47)34-22-25-41-38(28-34)43-35-17-9-7-15-31(35)21-26-42(43)48-41;1-45(2,3)34-21-24-39(37(28-34)30-14-8-5-9-15-30)47-40-23-19-31-16-10-11-17-35(31)43(40)46-44(47)33-20-25-41-38(26-33)36-22-18-32(27-42(36)48-41)29-12-6-4-7-13-29;1-4-45-39-17-11-10-16-35(39)37-24-32(20-21-40(37)45)43-44-38-26-36-31(19-18-30-14-8-9-15-34(30)36)25-41(38)46(43)42-27(2)22-33(23-28(42)3)29-12-6-5-7-13-29;1-3-12-27(13-4-1)31-19-11-20-32(28-14-5-2-6-15-28)39(31)43-40-33-17-8-7-16-29(33)22-24-36(40)42-41(43)30-23-25-38-35(26-30)34-18-9-10-21-37(34)44-38;1-2-10-23(11-3-1)26-13-6-8-16-30(26)37-31-20-18-24-12-4-5-14-27(24)34(31)36-35(37)25-19-21-33-29(22-25)28-15-7-9-17-32(28)38-33;1-18-11-13-21(14-12-18)23-16-22(24(17-25-23)26(3,4)5)15-19(2)20-9-7-6-8-10-20;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;1-22(2,3)20-15-21-19(17-12-8-5-9-13-17)14-18(20)16-10-6-4-7-11-16;1-15-8-10-16(11-9-15)18-12-17(13-20(2,3)4)19(14-21-18)22(5,6)7;1-19(2,3)12-15-11-17(14-7-9-16(20)10-8-14)21-13-18(15)22(4,5)6;2*1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;;;;;;;/h4-25,27-31H,1-3H3;5-17,19-29H,1-4H3;1-21,23-28H;4-19,21-28H,1-3H3;5-19,21-26H,4H2,1-3H3;1-22,24-26H;1-18,20-22H;6-13,16-17,19H,15H2,1-5H3;4-12,15-16H,14H2,1-3H3;4-12,14-15H,1-3H3;8-10,12,14H,13H2,1-7H3;7,9-11,13H,12H2,1-6H3;2*7-10,12,14H,13H2,1-6H3;;;;;;;/q14*-1;;;;;;;/i;;;;;;;1D3,15D2;14D2;4D,6D,7D,10D,11D;1D3,13D2;12D2;2*13D2;;;;;;;
InChIKeyRVFOGSTUIRRVBU-MEEWOVPBSA-N
MW7794.55 g/mol
LogP116.93
Rot. Bonds55

About 10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane

10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane (PubChem CID 157117365) has the molecular formula C447H385F2Ir7N23O3S2Si7-14 and a molecular weight of 7794.55 g/mol. Its IUPAC name is 10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane.

Molecular Properties

Compound Name10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane
PubChem CID157117365
Molecular FormulaC447H385F2Ir7N23O3S2Si7-14
Molecular Weight7794.55 g/mol
Exact Mass7793.74
IUPAC Name10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane
SMILESCC(C)(C)c1ccc(-n2c(-c3[c-]cc4sc5cc(-c6ccccc6)ccc5c4c3)nc3c4ccccc4ccc32)c(-c2ccccc2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]cc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)nc2cc3ccccc3cc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccc(-c5ccc(F)cc5)cc4c3c2)nc2ccc3ccccc3c21.CCn1c2c[c-]c(-c3nc4cc5c(ccc6ccccc65)cc4n3-c3c(C)cc(-c4ccccc4)cc3C)cc2c2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)c3ccccc3)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])(c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]c1c([2H])c([2H])c(-c2cc(-c3[c-]cccc3)ncc2[Si](C)(C)C)c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2oc3ccc4ccccc4c3c2cc1-c1nc2c3ccccc3ccc2n1-c1ccc(-c2ccccc2)cc1-c1ccccc1.[c-]1cc2oc3ccccc3c2cc1-c1nc2ccc3ccccc3c2n1-c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1cc2sc3ccccc3c2cc1-c1nc2c3ccccc3ccc2n1-c1ccccc1-c1ccccc1
InChIInChI=1S/C49H36N3.C47H36FN2O.C45H27N2O.C45H33N2S.C43H32N3.C41H25N2O.C35H21N2S.C24H28NSi.C21H22NSi.C20H20NSi.C20H28NSi.C19H25FNSi.2C19H26NSi.7Ir/c1-49(2,3)41-24-14-23-39(32-15-6-4-7-16-32)47(41)52-45-31-35-19-11-10-18-34(35)30-42(45)50-48(52)36-26-27-43-40(29-36)46-38-22-13-12-17-33(38)25-28-44(46)51(43)37-20-8-5-9-21-37;1-28(2)38-26-35(30-10-6-5-7-11-30)27-39(29(3)4)45(38)50-46-37-13-9-8-12-32(37)16-21-42(46)49-47(50)34-18-23-44-41(25-34)40-24-33(17-22-43(40)51-44)31-14-19-36(48)20-15-31;1-3-11-29(12-4-1)33-20-23-39(37(27-33)30-13-5-2-6-14-30)47-40-24-19-32-16-8-10-18-36(32)44(40)46-45(47)34-22-25-41-38(28-34)43-35-17-9-7-15-31(35)21-26-42(43)48-41;1-45(2,3)34-21-24-39(37(28-34)30-14-8-5-9-15-30)47-40-23-19-31-16-10-11-17-35(31)43(40)46-44(47)33-20-25-41-38(26-33)36-22-18-32(27-42(36)48-41)29-12-6-4-7-13-29;1-4-45-39-17-11-10-16-35(39)37-24-32(20-21-40(37)45)43-44-38-26-36-31(19-18-30-14-8-9-15-34(30)36)25-41(38)46(43)42-27(2)22-33(23-28(42)3)29-12-6-5-7-13-29;1-3-12-27(13-4-1)31-19-11-20-32(28-14-5-2-6-15-28)39(31)43-40-33-17-8-7-16-29(33)22-24-36(40)42-41(43)30-23-25-38-35(26-30)34-18-9-10-21-37(34)44-38;1-2-10-23(11-3-1)26-13-6-8-16-30(26)37-31-20-18-24-12-4-5-14-27(24)34(31)36-35(37)25-19-21-33-29(22-25)28-15-7-9-17-32(28)38-33;1-18-11-13-21(14-12-18)23-16-22(24(17-25-23)26(3,4)5)15-19(2)20-9-7-6-8-10-20;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;1-22(2,3)20-15-21-19(17-12-8-5-9-13-17)14-18(20)16-10-6-4-7-11-16;1-15-8-10-16(11-9-15)18-12-17(13-20(2,3)4)19(14-21-18)22(5,6)7;1-19(2,3)12-15-11-17(14-7-9-16(20)10-8-14)21-13-18(15)22(4,5)6;2*1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;;;;;;;/h4-25,27-31H,1-3H3;5-17,19-29H,1-4H3;1-21,23-28H;4-19,21-28H,1-3H3;5-19,21-26H,4H2,1-3H3;1-22,24-26H;1-18,20-22H;6-13,16-17,19H,15H2,1-5H3;4-12,15-16H,14H2,1-3H3;4-12,14-15H,1-3H3;8-10,12,14H,13H2,1-7H3;7,9-11,13H,12H2,1-6H3;2*7-10,12,14H,13H2,1-6H3;;;;;;;/q14*-1;;;;;;;/i;;;;;;;1D3,15D2;14D2;4D,6D,7D,10D,11D;1D3,13D2;12D2;2*13D2;;;;;;;
InChIKeyRVFOGSTUIRRVBU-MEEWOVPBSA-N
XLogP116.93
TPSA264.25 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds55
Heavy Atoms491
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007794.55
LogP ≤ 5116.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane with MolForge

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Related Compounds

2-[7,9-bis(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-(3-phenylphenyl)benzimidazole;1-(2-tert-butyl-6-phenylphenyl)-6-fluoro-2-[7-(4-fluoro-3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-[7-(4-fluorophenyl)-1-methyl-3H-dibenzofuran-3-id-4-yl]benzimidazole;[4-(1-deuteriocyclopentyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3-methylbutan-2-yl)-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;dimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;1-(2,6-dimethyl-4-phenylphenyl)-2-[3-(4-fluorophenyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;2-[7-(8-fluorodibenzofuran-3-yl)-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-[1-(4-fluorophenyl)-7-phenyl-3H-dibenzofuran-3-id-4-yl]-1-(4-phenylphenyl)benzimidazole;heptakis(iridium);trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)silane;hydrofluoride
CID 159674916
2-(3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 156659244
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-[cyclopentyl(dideuterio)methyl]-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(7-dibenzofuran-3-yl-3H-dibenzothiophen-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;1-(2,6-diphenylphenyl)-2-(7-pyridin-4-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;pentakis(iridium);2-(7-naphthalen-2-yl-3H-dibenzothiophen-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;bis(2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole)
CID 163471366
1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tris(iridium);methane;tris(trimethyl-[4-methyl-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane)
CID 163704633
CID 157087846
CID 157087846
1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[8-[3-(3,5-dimethylphenyl)phenyl]-3H-dibenzothiophen-3-id-4-yl]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;3-[2,6-di(propan-2-yl)phenyl]-6-methyl-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-(trideuteriomethyl)imidazo[4,5-c]pyridine;pentakis(iridium);1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[8-(2-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[8-(4-phenylphenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;1-(4-phenylphenyl)-2-[8-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[6-phenyl-4-(trideuteriomethyl)-3-pyridinyl]silane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 160735945
[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[8-(4-fluorophenyl)-3H-dibenzothiophen-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
CID 156657540
8-[1-(2-tert-butyl-6-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuterio-3-phenylbutan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane);[4-(1-deuterio-1-phenylethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 160813031
1-(2-tert-butyl-6-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(3H-dibenzofuran-3-id-4-yl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4-diphenylphenyl)benzimidazole;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;tetrakis([4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);tetrakis(iridium)
CID 158982869
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 156659500
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;2-(8-cyclohexyl-3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);2-(7,8-dimethyl-3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(7-fluoro-3H-dibenzothiophen-3-id-2-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;tetrakis(iridium);1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trideuteriomethyl)-3H-dibenzothiophen-3-id-2-yl]benzimidazole
CID 163633591
8-[1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis([4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane);8-(1-dibenzofuran-4-ylbenzimidazol-2-yl)-5-(4-fluorophenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;4-(1-dibenzothiophen-2-ylbenzimidazol-2-yl)-9-fluoro-3H-[1]benzofuro[2,3-b]quinolin-3-ide;[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;tris(iridium)
CID 159143120

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane?
The IUPAC name of 10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane (CID 157117365) is 10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane.
What is the SMILES notation for 10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane?
The canonical SMILES for 10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane is CC(C)(C)c1ccc(-n2c(-c3[c-]cc4sc5cc(-c6ccccc6)ccc5c4c3)nc3c4ccccc4ccc32)c(-c2ccccc2)c1.CC(C)(C)c1cccc(-c2ccccc2)c1-n1c(-c2[c-]cc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)nc2cc3ccccc3cc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]cc3oc4ccc(-c5ccc(F)cc5)cc4c3c2)nc2ccc3ccccc3c21.CCn1c2c[c-]c(-c3nc4cc5c(ccc6ccccc65)cc4n3-c3c(C)cc(-c4ccccc4)cc3C)cc2c2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C(C)c3ccccc3)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])(c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1ccccc1)c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.[2H]c1c([2H])c([2H])c(-c2cc(-c3[c-]cccc3)ncc2[Si](C)(C)C)c([2H])c1[2H].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2oc3ccc4ccccc4c3c2cc1-c1nc2c3ccccc3ccc2n1-c1ccc(-c2ccccc2)cc1-c1ccccc1.[c-]1cc2oc3ccccc3c2cc1-c1nc2ccc3ccccc3c2n1-c1c(-c2ccccc2)cccc1-c1ccccc1.[c-]1cc2sc3ccccc3c2cc1-c1nc2c3ccccc3ccc2n1-c1ccccc1-c1ccccc1.
What is the InChIKey of 10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane?
The InChIKey is RVFOGSTUIRRVBU-MEEWOVPBSA-N. The full InChI is InChI=1S/C49H36N3.C47H36FN2O.C45H27N2O.C45H33N2S.C43H32N3.C41H25N2O.C35H21N2S.C24H28NSi.C21H22NSi.C20H20NSi.C20H28NSi.C19H25FNSi.2C19H26NSi.7Ir/c1-49(2,3)41-24-14-23-39(32-15-6-4-7-16-32)47(41)52-45-31-35-19-11-10-18-34(35)30-42(45)50-48(52)36-26-27-43-40(29-36)46-38-22-13-12-17-33(38)25-28-44(46)51(43)37-20-8-5-9-21-37;1-28(2)38-26-35(30-10-6-5-7-11-30)27-39(29(3)4)45(38)50-46-37-13-9-8-12-32(37)16-21-42(46)49-47(50)34-18-23-44-41(25-34)40-24-33(17-22-43(40)51-44)31-14-19-36(48)20-15-31;1-3-11-29(12-4-1)33-20-23-39(37(27-33)30-13-5-2-6-14-30)47-40-24-19-32-16-8-10-18-36(32)44(40)46-45(47)34-22-25-41-38(28-34)43-35-17-9-7-15-31(35)21-26-42(43)48-41;1-45(2,3)34-21-24-39(37(28-34)30-14-8-5-9-15-30)47-40-23-19-31-16-10-11-17-35(31)43(40)46-44(47)33-20-25-41-38(26-33)36-22-18-32(27-42(36)48-41)29-12-6-4-7-13-29;1-4-45-39-17-11-10-16-35(39)37-24-32(20-21-40(37)45)43-44-38-26-36-31(19-18-30-14-8-9-15-34(30)36)25-41(38)46(43)42-27(2)22-33(23-28(42)3)29-12-6-5-7-13-29;1-3-12-27(13-4-1)31-19-11-20-32(28-14-5-2-6-15-28)39(31)43-40-33-17-8-7-16-29(33)22-24-36(40)42-41(43)30-23-25-38-35(26-30)34-18-9-10-21-37(34)44-38;1-2-10-23(11-3-1)26-13-6-8-16-30(26)37-31-20-18-24-12-4-5-14-27(24)34(31)36-35(37)25-19-21-33-29(22-25)28-15-7-9-17-32(28)38-33;1-18-11-13-21(14-12-18)23-16-22(24(17-25-23)26(3,4)5)15-19(2)20-9-7-6-8-10-20;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;1-22(2,3)20-15-21-19(17-12-8-5-9-13-17)14-18(20)16-10-6-4-7-11-16;1-15-8-10-16(11-9-15)18-12-17(13-20(2,3)4)19(14-21-18)22(5,6)7;1-19(2,3)12-15-11-17(14-7-9-16(20)10-8-14)21-13-18(15)22(4,5)6;2*1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;;;;;;;/h4-25,27-31H,1-3H3;5-17,19-29H,1-4H3;1-21,23-28H;4-19,21-28H,1-3H3;5-19,21-26H,4H2,1-3H3;1-22,24-26H;1-18,20-22H;6-13,16-17,19H,15H2,1-5H3;4-12,15-16H,14H2,1-3H3;4-12,14-15H,1-3H3;8-10,12,14H,13H2,1-7H3;7,9-11,13H,12H2,1-6H3;2*7-10,12,14H,13H2,1-6H3;;;;;;;/q14*-1;;;;;;;/i;;;;;;;1D3,15D2;14D2;4D,6D,7D,10D,11D;1D3,13D2;12D2;2*13D2;;;;;;;.
What are the key properties of 10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane?
10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane has a molecular weight of 7794.55 g/mol, XLogP of 116.93, 55 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(2-tert-butyl-6-phenylphenyl)benzo[f]benzimidazol-2-yl]-7-phenyl-9H-benzo[c]carbazol-9-ide;3-(4-tert-butyl-2-phenylphenyl)-2-(7-phenyl-3H-dibenzothiophen-3-id-2-yl)benzo[e]benzimidazole;2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)benzo[e]benzimidazole;2-(3H-dibenzothiophen-3-id-2-yl)-3-(2-phenylphenyl)benzo[e]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;bis([4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane);[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;[4-[dideuterio(phenyl)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-phenylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-(2,6-dimethyl-4-phenylphenyl)-9-(9-ethyl-2H-carbazol-2-id-3-yl)naphtho[1,2-f]benzimidazole;3-(2,4-diphenylphenyl)-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[e]benzimidazole;2-[8-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole;heptakis(iridium);trimethyl-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-3-pyridinyl]silane is sourced from PubChem (CID 157117365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).