[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

C323H307Ge5Ir5N15O6-10 — CID 158779655

IUPAC[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
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccc5c(c4)oc4ccccc45)ccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]ccc3ccccc23)nc1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C3CCCCC3)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])(c1cc(-c2[c-]ccc(C)c2)ncc1[Ge](C)(C)C)C1CCCC1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C49H37N2O2.4C43H35N2O.C22H30GeN.2C21H28GeN.C20H26GeN.C18H18GeN.5Ir/c1-29(2)40-25-34(31-13-6-5-7-14-31)26-41(30(3)4)47(40)51-43-19-10-9-18-42(43)50-49(51)39-17-12-16-38-37-24-22-33(28-46(37)53-48(38)39)32-21-23-36-35-15-8-11-20-44(35)52-45(36)27-32;4*1-27(2)36-24-32(30-16-9-6-10-17-30)25-37(28(3)4)41(36)45-39-21-12-11-20-38(39)44-43(45)35-19-13-18-34-33-23-22-31(26-40(33)46-42(34)35)29-14-7-5-8-15-29;1-17-10-12-19(13-11-17)22-15-20(14-18-8-6-5-7-9-18)21(16-24-22)23(2,3)4;1-16-8-7-11-18(12-16)21-14-19(13-17-9-5-6-10-17)20(15-23-21)22(2,3)4;1-22(2,3)20-16-23-21(18-12-8-5-9-13-18)15-19(20)14-17-10-6-4-7-11-17;1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;1-19(2,3)15-11-12-18(20-13-15)17-10-6-8-14-7-4-5-9-16(14)17;;;;;/h5-16,18-30H,1-4H3;4*5-18,20-28H,1-4H3;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;4-9,11-13H,1-3H3;;;;;/q10*-1;;;;;/i;;;;;1D3,14D2;13D2;;;;;;;;
InChIKeyJLGWDLNNALBUHQ-PUJRXYNHSA-N
MW5826.29 g/mol
LogP86.70
Rot. Bonds49

About [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

[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 (PubChem CID 158779655) has the molecular formula C323H307Ge5Ir5N15O6-10 and a molecular weight of 5826.29 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158779655
Molecular FormulaC323H307Ge5Ir5N15O6-10
Molecular Weight5826.29 g/mol
Exact Mass5832.89
IUPAC Name[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
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccc5c(c4)oc4ccccc45)ccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]ccc3ccccc23)nc1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C3CCCCC3)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])(c1cc(-c2[c-]ccc(C)c2)ncc1[Ge](C)(C)C)C1CCCC1.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C49H37N2O2.4C43H35N2O.C22H30GeN.2C21H28GeN.C20H26GeN.C18H18GeN.5Ir/c1-29(2)40-25-34(31-13-6-5-7-14-31)26-41(30(3)4)47(40)51-43-19-10-9-18-42(43)50-49(51)39-17-12-16-38-37-24-22-33(28-46(37)53-48(38)39)32-21-23-36-35-15-8-11-20-44(35)52-45(36)27-32;4*1-27(2)36-24-32(30-16-9-6-10-17-30)25-37(28(3)4)41(36)45-39-21-12-11-20-38(39)44-43(45)35-19-13-18-34-33-23-22-31(26-40(33)46-42(34)35)29-14-7-5-8-15-29;1-17-10-12-19(13-11-17)22-15-20(14-18-8-6-5-7-9-18)21(16-24-22)23(2,3)4;1-16-8-7-11-18(12-16)21-14-19(13-17-9-5-6-10-17)20(15-23-21)22(2,3)4;1-22(2,3)20-16-23-21(18-12-8-5-9-13-18)15-19(20)14-17-10-6-4-7-11-17;1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;1-19(2,3)15-11-12-18(20-13-15)17-10-6-8-14-7-4-5-9-16(14)17;;;;;/h5-16,18-30H,1-4H3;4*5-18,20-28H,1-4H3;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;4-9,11-13H,1-3H3;;;;;/q10*-1;;;;;/i;;;;;1D3,14D2;13D2;;;;;;;;
InChIKeyJLGWDLNNALBUHQ-PUJRXYNHSA-N
XLogP86.70
TPSA232.39 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds49
Heavy Atoms354
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005826.29
LogP ≤ 586.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze [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 with MolForge

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Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 156657668
2-[7-(2-deuteriopropan-2-yl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;[4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylgermane;pentakis(iridium);bis(2-(7-methyl-3H-dibenzofuran-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-propan-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazole;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-(6-phenyl-3-pyridinyl)germane;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 161092374
iridium;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 156660868
[4-[cyclohexyl(dideuterio)methyl]-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-2-[4-(trideuteriomethyl)phenyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 156667812
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)benzimidazole
CID 156658551
[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170537757
iridium;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 156659546
4-(1,1-dideuterio-2-methylpropyl)-2-phenyl-5-(trideuteriomethyl)pyridine;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170941221
iridium;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-(7-propan-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazole;2-phenyl-5-(trideuteriomethyl)pyridine
CID 170941208
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-methylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(1,1-dideuterio-2-methylpropyl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tris(2-(7-phenyl-3H-dibenzofuran-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-pyridin-4-yl-3H-dibenzofuran-3-id-4-yl)benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 163870429
CID 156658638
CID 156658638
[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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccc5c(c4)oc4ccccc45)ccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.C[Ge](C)(C)c1ccc(-c2[c-]ccc3ccccc23)nc1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C([2H])([2H])C3CCCCC3)c([Ge](C)(C)C)cn2)cc1.[2H]C([2H])(c1cc(-c2[c-]ccc(C)c2)ncc1[Ge](C)(C)C)C1CCCC1.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of [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?
The InChIKey is JLGWDLNNALBUHQ-PUJRXYNHSA-N. The full InChI is InChI=1S/C49H37N2O2.4C43H35N2O.C22H30GeN.2C21H28GeN.C20H26GeN.C18H18GeN.5Ir/c1-29(2)40-25-34(31-13-6-5-7-14-31)26-41(30(3)4)47(40)51-43-19-10-9-18-42(43)50-49(51)39-17-12-16-38-37-24-22-33(28-46(37)53-48(38)39)32-21-23-36-35-15-8-11-20-44(35)52-45(36)27-32;4*1-27(2)36-24-32(30-16-9-6-10-17-30)25-37(28(3)4)41(36)45-39-21-12-11-20-38(39)44-43(45)35-19-13-18-34-33-23-22-31(26-40(33)46-42(34)35)29-14-7-5-8-15-29;1-17-10-12-19(13-11-17)22-15-20(14-18-8-6-5-7-9-18)21(16-24-22)23(2,3)4;1-16-8-7-11-18(12-16)21-14-19(13-17-9-5-6-10-17)20(15-23-21)22(2,3)4;1-22(2,3)20-16-23-21(18-12-8-5-9-13-18)15-19(20)14-17-10-6-4-7-11-17;1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;1-19(2,3)15-11-12-18(20-13-15)17-10-6-8-14-7-4-5-9-16(14)17;;;;;/h5-16,18-30H,1-4H3;4*5-18,20-28H,1-4H3;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;4-9,11-13H,1-3H3;;;;;/q10*-1;;;;;/i;;;;;1D3,14D2;13D2;;;;;;;;.
What are the key properties of [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?
[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 has a molecular weight of 5826.29 g/mol, XLogP of 86.70, 49 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158779655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).