1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole

C382H350FIr7N21O2S4Si8-14 — CID 157066233

IUPAC1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole
SMILESCC(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3[c-]cc4c(c3)-c3ccccc3[Si]4(C)C)nc3c4ccccc4ccc32)c(-c2ccccc2)c1.CC(C)n1c(-c2[c-]ccc3c2sc2ccccc23)nc2ccccc21.CC1(C)c2c[c-]c(-c3nc4c5ccccc5c5ccccc5c4n3-c3cc(-c4ccccc4)ccc3-c3ccccc3)cc2-c2ccccc21.CCn1c(-c2[c-]ccc3c2sc2ccccc23)nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C(C)(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])(c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C)C1CCCCC1.[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)C1CCCCC1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2oc3ccc4ccccc4c3c2cc1-c1nc2cc3ccccc3cc2n1-c1cccc2c1oc1ccccc12.[c-]1cc2sc3c4ccccc4ccc3c2cc1-c1nc2c3ccccc3ccc2n1-c1c(-c2ccccc2)ccc2ccccc12.[c-]1ccc2c(sc3ccccc32)c1-c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C48H33N2.C47H39N2Si.C43H25N2S.C39H21N2O2.C26H17N2S.C22H17N2S.C21H27FNSi.C21H15N2S.C21H28NSi.C21H30NSi.C19H26NSi.3C18H24NSi.7Ir/c1-48(2)42-24-14-13-21-38(42)41-29-34(26-28-43(41)48)47-49-45-39-22-11-9-19-36(39)37-20-10-12-23-40(37)46(45)50(47)44-30-33(31-15-5-3-6-16-31)25-27-35(44)32-17-7-4-8-18-32;1-47(2,3)35-29-38(31-16-8-6-9-17-31)45(39(30-35)32-18-10-7-11-19-32)49-41-26-24-33-20-12-13-21-36(33)44(41)48-46(49)34-25-27-43-40(28-34)37-22-14-15-23-42(37)50(43,4)5;1-2-10-27(11-3-1)34-22-18-29-13-5-8-16-33(29)41(34)45-38-24-20-28-12-4-7-15-32(28)40(38)44-43(45)31-21-25-39-37(26-31)36-23-19-30-14-6-9-17-35(30)42(36)46-39;1-2-10-25-22-33-31(21-24(25)9-1)40-39(41(33)32-14-7-13-29-28-12-5-6-15-34(28)43-38(29)32)26-17-18-35-30(20-26)37-27-11-4-3-8-23(27)16-19-36(37)42-35;1-2-9-18(10-3-1)17-28-23-15-6-5-14-22(23)27-26(28)21-13-8-12-20-19-11-4-7-16-24(19)29-25(20)21;1-14(2)24-19-12-5-4-11-18(19)23-22(24)17-10-7-9-16-15-8-3-6-13-20(15)25-21(16)17;1-24(2,3)21-15-23-20(17-9-11-19(22)12-10-17)14-18(21)13-16-7-5-4-6-8-16;1-2-23-18-12-5-4-11-17(18)22-21(23)16-10-7-9-15-14-8-3-6-13-19(14)24-20(15)16;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;1-15-9-11-17(12-10-15)19-13-18(16(2)21(3,4)5)20(14-22-19)23(6,7)8;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;3*1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;;;;;;;/h3-25,27-30H,1-2H3;6-24,26-30H,1-5H3;1-20,22-26H;1-16,18-22H;1-12,14-16H,17H2;3-9,11-14H,1-2H3;9,11-12,14-16H,4-8,13H2,1-3H3;3-9,11-13H,2H2,1H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;9-11,13-14,16H,1-8H3;7-10,12,14H,13H2,1-6H3;3*7-9,11-13H,1-6H3;;;;;;;/q14*-1;;;;;;;/i;;;;;;13D2;;14D2;1D3,16D;13D2;3*3D3,13D;;;;;;;
InChIKeyMOQNXOLLOXNAHF-AUHNYMRNSA-N
MW7006.75 g/mol
LogP99.74
Rot. Bonds47

About 1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole

1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole (PubChem CID 157066233) has the molecular formula C382H350FIr7N21O2S4Si8-14 and a molecular weight of 7006.75 g/mol. Its IUPAC name is 1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole
PubChem CID157066233
Molecular FormulaC382H350FIr7N21O2S4Si8-14
Molecular Weight7006.75 g/mol
Exact Mass7006.38
IUPAC Name1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole
SMILESCC(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3[c-]cc4c(c3)-c3ccccc3[Si]4(C)C)nc3c4ccccc4ccc32)c(-c2ccccc2)c1.CC(C)n1c(-c2[c-]ccc3c2sc2ccccc23)nc2ccccc21.CC1(C)c2c[c-]c(-c3nc4c5ccccc5c5ccccc5c4n3-c3cc(-c4ccccc4)ccc3-c3ccccc3)cc2-c2ccccc21.CCn1c(-c2[c-]ccc3c2sc2ccccc23)nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C(C)(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])(c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C)C1CCCCC1.[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)C1CCCCC1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2oc3ccc4ccccc4c3c2cc1-c1nc2cc3ccccc3cc2n1-c1cccc2c1oc1ccccc12.[c-]1cc2sc3c4ccccc4ccc3c2cc1-c1nc2c3ccccc3ccc2n1-c1c(-c2ccccc2)ccc2ccccc12.[c-]1ccc2c(sc3ccccc32)c1-c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C48H33N2.C47H39N2Si.C43H25N2S.C39H21N2O2.C26H17N2S.C22H17N2S.C21H27FNSi.C21H15N2S.C21H28NSi.C21H30NSi.C19H26NSi.3C18H24NSi.7Ir/c1-48(2)42-24-14-13-21-38(42)41-29-34(26-28-43(41)48)47-49-45-39-22-11-9-19-36(39)37-20-10-12-23-40(37)46(45)50(47)44-30-33(31-15-5-3-6-16-31)25-27-35(44)32-17-7-4-8-18-32;1-47(2,3)35-29-38(31-16-8-6-9-17-31)45(39(30-35)32-18-10-7-11-19-32)49-41-26-24-33-20-12-13-21-36(33)44(41)48-46(49)34-25-27-43-40(28-34)37-22-14-15-23-42(37)50(43,4)5;1-2-10-27(11-3-1)34-22-18-29-13-5-8-16-33(29)41(34)45-38-24-20-28-12-4-7-15-32(28)40(38)44-43(45)31-21-25-39-37(26-31)36-23-19-30-14-6-9-17-35(30)42(36)46-39;1-2-10-25-22-33-31(21-24(25)9-1)40-39(41(33)32-14-7-13-29-28-12-5-6-15-34(28)43-38(29)32)26-17-18-35-30(20-26)37-27-11-4-3-8-23(27)16-19-36(37)42-35;1-2-9-18(10-3-1)17-28-23-15-6-5-14-22(23)27-26(28)21-13-8-12-20-19-11-4-7-16-24(19)29-25(20)21;1-14(2)24-19-12-5-4-11-18(19)23-22(24)17-10-7-9-16-15-8-3-6-13-20(15)25-21(16)17;1-24(2,3)21-15-23-20(17-9-11-19(22)12-10-17)14-18(21)13-16-7-5-4-6-8-16;1-2-23-18-12-5-4-11-17(18)22-21(23)16-10-7-9-15-14-8-3-6-13-19(14)24-20(15)16;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;1-15-9-11-17(12-10-15)19-13-18(16(2)21(3,4)5)20(14-22-19)23(6,7)8;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;3*1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;;;;;;;/h3-25,27-30H,1-2H3;6-24,26-30H,1-5H3;1-20,22-26H;1-16,18-22H;1-12,14-16H,17H2;3-9,11-14H,1-2H3;9,11-12,14-16H,4-8,13H2,1-3H3;3-9,11-13H,2H2,1H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;9-11,13-14,16H,1-8H3;7-10,12,14H,13H2,1-6H3;3*7-9,11-13H,1-6H3;;;;;;;/q14*-1;;;;;;;/i;;;;;;13D2;;14D2;1D3,16D;13D2;3*3D3,13D;;;;;;;
InChIKeyMOQNXOLLOXNAHF-AUHNYMRNSA-N
XLogP99.74
TPSA241.25 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds47
Heavy Atoms425
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007006.75
LogP ≤ 599.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole?
The IUPAC name of 1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole (CID 157066233) is 1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole.
What is the SMILES notation for 1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole?
The canonical SMILES for 1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole is CC(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3[c-]cc4c(c3)-c3ccccc3[Si]4(C)C)nc3c4ccccc4ccc32)c(-c2ccccc2)c1.CC(C)n1c(-c2[c-]ccc3c2sc2ccccc23)nc2ccccc21.CC1(C)c2c[c-]c(-c3nc4c5ccccc5c5ccccc5c4n3-c3cc(-c4ccccc4)ccc3-c3ccccc3)cc2-c2ccccc21.CCn1c(-c2[c-]ccc3c2sc2ccccc23)nc2ccccc21.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C(C)(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])(C)C)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])(c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C)C1CCCCC1.[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)C1CCCCC1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc2oc3ccc4ccccc4c3c2cc1-c1nc2cc3ccccc3cc2n1-c1cccc2c1oc1ccccc12.[c-]1cc2sc3c4ccccc4ccc3c2cc1-c1nc2c3ccccc3ccc2n1-c1c(-c2ccccc2)ccc2ccccc12.[c-]1ccc2c(sc3ccccc32)c1-c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole?
The InChIKey is MOQNXOLLOXNAHF-AUHNYMRNSA-N. The full InChI is InChI=1S/C48H33N2.C47H39N2Si.C43H25N2S.C39H21N2O2.C26H17N2S.C22H17N2S.C21H27FNSi.C21H15N2S.C21H28NSi.C21H30NSi.C19H26NSi.3C18H24NSi.7Ir/c1-48(2)42-24-14-13-21-38(42)41-29-34(26-28-43(41)48)47-49-45-39-22-11-9-19-36(39)37-20-10-12-23-40(37)46(45)50(47)44-30-33(31-15-5-3-6-16-31)25-27-35(44)32-17-7-4-8-18-32;1-47(2,3)35-29-38(31-16-8-6-9-17-31)45(39(30-35)32-18-10-7-11-19-32)49-41-26-24-33-20-12-13-21-36(33)44(41)48-46(49)34-25-27-43-40(28-34)37-22-14-15-23-42(37)50(43,4)5;1-2-10-27(11-3-1)34-22-18-29-13-5-8-16-33(29)41(34)45-38-24-20-28-12-4-7-15-32(28)40(38)44-43(45)31-21-25-39-37(26-31)36-23-19-30-14-6-9-17-35(30)42(36)46-39;1-2-10-25-22-33-31(21-24(25)9-1)40-39(41(33)32-14-7-13-29-28-12-5-6-15-34(28)43-38(29)32)26-17-18-35-30(20-26)37-27-11-4-3-8-23(27)16-19-36(37)42-35;1-2-9-18(10-3-1)17-28-23-15-6-5-14-22(23)27-26(28)21-13-8-12-20-19-11-4-7-16-24(19)29-25(20)21;1-14(2)24-19-12-5-4-11-18(19)23-22(24)17-10-7-9-16-15-8-3-6-13-20(15)25-21(16)17;1-24(2,3)21-15-23-20(17-9-11-19(22)12-10-17)14-18(21)13-16-7-5-4-6-8-16;1-2-23-18-12-5-4-11-17(18)22-21(23)16-10-7-9-15-14-8-3-6-13-19(14)24-20(15)16;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;1-15-9-11-17(12-10-15)19-13-18(16(2)21(3,4)5)20(14-22-19)23(6,7)8;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;3*1-13(2)16-11-17(15-9-7-14(3)8-10-15)19-12-18(16)20(4,5)6;;;;;;;/h3-25,27-30H,1-2H3;6-24,26-30H,1-5H3;1-20,22-26H;1-16,18-22H;1-12,14-16H,17H2;3-9,11-14H,1-2H3;9,11-12,14-16H,4-8,13H2,1-3H3;3-9,11-13H,2H2,1H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;9-11,13-14,16H,1-8H3;7-10,12,14H,13H2,1-6H3;3*7-9,11-13H,1-6H3;;;;;;;/q14*-1;;;;;;;/i;;;;;;13D2;;14D2;1D3,16D;13D2;3*3D3,13D;;;;;;;.
What are the key properties of 1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole?
1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole has a molecular weight of 7006.75 g/mol, XLogP of 99.74, 47 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(3H-dibenzothiophen-3-id-4-yl)benzimidazole;3-(4-tert-butyl-2,6-diphenylphenyl)-2-(5,5-dimethyl-3H-benzo[b][1]benzosilol-3-id-2-yl)benzo[e]benzimidazole;[4-[cyclohexyl(dideuterio)methyl]-6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-[cyclohexyl(dideuterio)methyl]-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(2-deuterio-3,3-dimethylbutan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tris([4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane);3-dibenzofuran-4-yl-2-(9H-naphtho[2,1-b][1]benzofuran-9-id-10-yl)benzo[f]benzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-ethylbenzimidazole;2-(3H-dibenzothiophen-3-id-4-yl)-1-propan-2-ylbenzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(9,9-dimethyl-2H-fluoren-2-id-3-yl)-3-(2,5-diphenylphenyl)phenanthro[9,10-d]imidazole;heptakis(iridium);2-(9H-naphtho[1,2-b][1]benzothiol-9-id-8-yl)-3-(2-phenylnaphthalen-1-yl)benzo[e]benzimidazole is sourced from PubChem (CID 157066233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).