[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)

C307H268Ir5N16OS5Si5-10 — CID 163471366

IUPAC[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)
SMILESC[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C3CCCCC3)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])(c1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]ccc(C)c2)ncc1[Si](C)(C)C)C1CCCC1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3cc(-c4ccc5c(c4)oc4ccccc45)ccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1.[c-]1ccc2c(sc3cc(-c4ccc5ccccc5c4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1.[c-]1ccc2c(sc3cc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1.[c-]1ccc2c(sc3cc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1.[c-]1ccc2c(sc3cc(-c4ccncc4)ccc32)c1-c1nc2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C43H25N2OS.C42H26N3S.C41H25N2S.2C37H23N2S.C23H34NSi.C22H30NSi.2C21H28NSi.C20H26NSi.5Ir/c1-2-11-27(12-3-1)30-13-4-7-18-37(30)45-38-19-8-6-17-36(38)44-43(45)35-16-10-15-34-33-24-22-29(26-41(33)47-42(34)35)28-21-23-32-31-14-5-9-20-39(31)46-40(32)25-28;1-3-11-29(12-4-1)32-15-9-16-33(30-13-5-2-6-14-30)40(32)45-38-20-8-7-19-37(38)44-42(45)36-18-10-17-35-34-22-21-31(27-39(34)46-41(35)36)28-23-25-43-26-24-28;1-2-12-28(13-3-1)32-15-6-8-19-37(32)43-38-20-9-7-18-36(38)42-41(43)35-17-10-16-34-33-24-23-31(26-39(33)44-40(34)35)30-22-21-27-11-4-5-14-29(27)25-30;2*1-3-12-25(13-4-1)27-22-23-29-30-17-11-18-31(36(30)40-35(29)24-27)37-38-32-19-8-10-21-34(32)39(37)33-20-9-7-16-28(33)26-14-5-2-6-15-26;1-22(2,3)15-18-14-20(24-16-21(18)25(7,8)9)17-11-10-12-19(13-17)23(4,5)6;1-17-10-12-19(13-11-17)21-15-20(14-18-8-6-5-7-9-18)22(16-23-21)24(2,3)4;1-16-8-7-11-18(12-16)20-14-19(13-17-9-5-6-10-17)21(15-22-20)23(2,3)4;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(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;;;;;/h1-15,17-26H;1-17,19-27H;1-16,18-26H;2*1-17,19-24H;10,12-14,16H,15H2,1-9H3;10-12,15-16,18H,5-9,14H2,1-4H3;7-8,12,14-15,17H,5-6,9-10,13H2,1-4H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;4-6,11,14-16H,7-10,13H2,1-3H3;;;;;/q10*-1;;;;;/i;;;;;15D2;1D3,14D2;13D2;;;;;;;
InChIKeyOYKMZZHNSKWXHP-FTXOGEKYSA-N
MW5468.54 g/mol
LogP81.76
Rot. Bonds41

About [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)

[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) (PubChem CID 163471366) has the molecular formula C307H268Ir5N16OS5Si5-10 and a molecular weight of 5468.54 g/mol. Its IUPAC name is [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).

Molecular Properties

Compound Name[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)
PubChem CID163471366
Molecular FormulaC307H268Ir5N16OS5Si5-10
Molecular Weight5468.54 g/mol
Exact Mass5467.76
IUPAC Name[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)
SMILESC[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C3CCCCC3)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])(c1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]ccc(C)c2)ncc1[Si](C)(C)C)C1CCCC1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3cc(-c4ccc5c(c4)oc4ccccc45)ccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1.[c-]1ccc2c(sc3cc(-c4ccc5ccccc5c4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1.[c-]1ccc2c(sc3cc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1.[c-]1ccc2c(sc3cc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1.[c-]1ccc2c(sc3cc(-c4ccncc4)ccc32)c1-c1nc2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C43H25N2OS.C42H26N3S.C41H25N2S.2C37H23N2S.C23H34NSi.C22H30NSi.2C21H28NSi.C20H26NSi.5Ir/c1-2-11-27(12-3-1)30-13-4-7-18-37(30)45-38-19-8-6-17-36(38)44-43(45)35-16-10-15-34-33-24-22-29(26-41(33)47-42(34)35)28-21-23-32-31-14-5-9-20-39(31)46-40(32)25-28;1-3-11-29(12-4-1)32-15-9-16-33(30-13-5-2-6-14-30)40(32)45-38-20-8-7-19-37(38)44-42(45)36-18-10-17-35-34-22-21-31(27-39(34)46-41(35)36)28-23-25-43-26-24-28;1-2-12-28(13-3-1)32-15-6-8-19-37(32)43-38-20-9-7-18-36(38)42-41(43)35-17-10-16-34-33-24-23-31(26-39(33)44-40(34)35)30-22-21-27-11-4-5-14-29(27)25-30;2*1-3-12-25(13-4-1)27-22-23-29-30-17-11-18-31(36(30)40-35(29)24-27)37-38-32-19-8-10-21-34(32)39(37)33-20-9-7-16-28(33)26-14-5-2-6-15-26;1-22(2,3)15-18-14-20(24-16-21(18)25(7,8)9)17-11-10-12-19(13-17)23(4,5)6;1-17-10-12-19(13-11-17)21-15-20(14-18-8-6-5-7-9-18)22(16-23-21)24(2,3)4;1-16-8-7-11-18(12-16)20-14-19(13-17-9-5-6-10-17)21(15-22-20)23(2,3)4;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(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;;;;;/h1-15,17-26H;1-17,19-27H;1-16,18-26H;2*1-17,19-24H;10,12-14,16H,15H2,1-9H3;10-12,15-16,18H,5-9,14H2,1-4H3;7-8,12,14-15,17H,5-6,9-10,13H2,1-4H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;4-6,11,14-16H,7-10,13H2,1-3H3;;;;;/q10*-1;;;;;/i;;;;;15D2;1D3,14D2;13D2;;;;;;;
InChIKeyOYKMZZHNSKWXHP-FTXOGEKYSA-N
XLogP81.76
TPSA179.58 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds41
Heavy Atoms339
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005468.54
LogP ≤ 581.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze [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) with MolForge

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Launch Full Analysis

Related Compounds

[6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;1-(4-tert-butyl-2-phenylphenyl)-2-(7-cyclohexyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;1-(4-tert-butyl-2-phenylphenyl)-2-(7-cyclopentyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;1-(2-tert-butyl-4-phenylphenyl)-2-(7-methyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;bis(1-(4-tert-butyl-2-phenylphenyl)-2-(7-methyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole);[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[4-[cyclopentyl(dideuterio)methyl]-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;pentakis(iridium)
CID 161036946
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;iridium
CID 162776860
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[4-[cyclopentyl(dideuterio)methyl]-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;bis(2-(1,7-dimethyl-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole);2-(1-fluoro-3H-dibenzothiophen-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;pentakis(iridium);2-(1-methyl-3H-naphtho[2,3-b][1]benzothiol-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7,8,9,10-tetrahydro-3H-naphtho[2,3-b][1]benzothiol-3-id-4-yl)benzimidazole
CID 159363309
1-(4-tert-butyl-2-phenylphenyl)-2-(7-methyl-3H-dibenzothiophen-3-id-4-yl)benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium
CID 156659174
(4-cyclohexyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole
CID 156659225
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-4-yl)-1-(2-phenylphenyl)benzimidazole;iridium
CID 156658076
[4-[cyclohexyl(dideuterio)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[4-[cyclopentyl(dideuterio)methyl]-6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-dibenzofuran-3-yl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;pentakis(iridium);tetrakis(2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole);trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane
CID 158779655
1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;iridium
CID 167355538
[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;tetrakis(iridium);bis(2-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(2-methyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide)
CID 159229917
4-[cyclopentyl(dideuterio)methyl]-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-[cyclopentyl(dideuterio)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 166574501
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-(2,2-dimethylpropyl)-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane);tetrakis(iridium)
CID 159382169
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
CID 156660758

Frequently Asked Questions

What is the IUPAC name of [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)?
The IUPAC name of [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) is [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).
What is the SMILES notation for [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)?
The canonical SMILES for [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) is C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C3CCCCC3)c([Si](C)(C)C)cn2)cc1.[2H]C([2H])(c1cc(-c2[c-]ccc(C(C)(C)C)c2)ncc1[Si](C)(C)C)C(C)(C)C.[2H]C([2H])(c1cc(-c2[c-]ccc(C)c2)ncc1[Si](C)(C)C)C1CCCC1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(sc3cc(-c4ccc5c(c4)oc4ccccc45)ccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1.[c-]1ccc2c(sc3cc(-c4ccc5ccccc5c4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1.[c-]1ccc2c(sc3cc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1.[c-]1ccc2c(sc3cc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1-c1ccccc1.[c-]1ccc2c(sc3cc(-c4ccncc4)ccc32)c1-c1nc2ccccc2n1-c1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of [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)?
The InChIKey is OYKMZZHNSKWXHP-FTXOGEKYSA-N. The full InChI is InChI=1S/C43H25N2OS.C42H26N3S.C41H25N2S.2C37H23N2S.C23H34NSi.C22H30NSi.2C21H28NSi.C20H26NSi.5Ir/c1-2-11-27(12-3-1)30-13-4-7-18-37(30)45-38-19-8-6-17-36(38)44-43(45)35-16-10-15-34-33-24-22-29(26-41(33)47-42(34)35)28-21-23-32-31-14-5-9-20-39(31)46-40(32)25-28;1-3-11-29(12-4-1)32-15-9-16-33(30-13-5-2-6-14-30)40(32)45-38-20-8-7-19-37(38)44-42(45)36-18-10-17-35-34-22-21-31(27-39(34)46-41(35)36)28-23-25-43-26-24-28;1-2-12-28(13-3-1)32-15-6-8-19-37(32)43-38-20-9-7-18-36(38)42-41(43)35-17-10-16-34-33-24-23-31(26-39(33)44-40(34)35)30-22-21-27-11-4-5-14-29(27)25-30;2*1-3-12-25(13-4-1)27-22-23-29-30-17-11-18-31(36(30)40-35(29)24-27)37-38-32-19-8-10-21-34(32)39(37)33-20-9-7-16-28(33)26-14-5-2-6-15-26;1-22(2,3)15-18-14-20(24-16-21(18)25(7,8)9)17-11-10-12-19(13-17)23(4,5)6;1-17-10-12-19(13-11-17)21-15-20(14-18-8-6-5-7-9-18)22(16-23-21)24(2,3)4;1-16-8-7-11-18(12-16)20-14-19(13-17-9-5-6-10-17)21(15-22-20)23(2,3)4;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(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;;;;;/h1-15,17-26H;1-17,19-27H;1-16,18-26H;2*1-17,19-24H;10,12-14,16H,15H2,1-9H3;10-12,15-16,18H,5-9,14H2,1-4H3;7-8,12,14-15,17H,5-6,9-10,13H2,1-4H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;4-6,11,14-16H,7-10,13H2,1-3H3;;;;;/q10*-1;;;;;/i;;;;;15D2;1D3,14D2;13D2;;;;;;;.
What are the key properties of [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)?
[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) has a molecular weight of 5468.54 g/mol, XLogP of 81.76, 41 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [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) is sourced from PubChem (CID 163471366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).