4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole)

C151H160Ir2N29O7Pt4- — CID 157473415

IUPAC4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole)
SMILESCC(=O)C(C)=C(C)O.COc1c[c-]c(-c2cn(C)cn2)c(C)c1.COc1c[c-]c(-c2cn(C)cn2)c(OC)c1.COc1ccc[c-]c1-c1cn(C)cn1.COc1ccc[c-]c1-c1cn(C)cn1.Cc1c(-c2[c-]cccc2)ncn1C.Cc1c(-c2[c-]cccc2)ncn1C.Cc1c(-c2[c-]cccc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.[Ir+3].[Ir+3].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C12H13N2O2.C12H13N2O.3C12H13N2.2C11H11N2O.3C11H11N2.3C10H10N3.C6H10O2.2Ir.4Pt/c1-14-7-11(13-8-14)10-5-4-9(15-2)6-12(10)16-3;1-9-6-10(15-3)4-5-11(9)12-7-14(2)8-13-12;3*1-9-12(13-10(2)14(9)3)11-7-5-4-6-8-11;2*1-13-7-10(12-8-13)9-5-3-4-6-11(9)14-2;3*1-9-11(12-8-13(9)2)10-6-4-3-5-7-10;3*1-8-10(12-7-13(8)2)9-4-3-5-11-6-9;1-4(5(2)7)6(3)8;;;;;;/h4,6-8H,1-3H3;4,6-8H,1-3H3;3*4-7H,1-3H3;2*3-4,6-8H,1-2H3;3*3-6,8H,1-2H3;3*3,5-7H,1-2H3;7H,1-3H3;;;;;;/q13*-1;;2*+3;;3*+2
InChIKeyIJOKPZHQZRHINM-UHFFFAOYSA-N
MW3657.88 g/mol
LogP28.18
Rot. Bonds19

About 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole)

4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole) (PubChem CID 157473415) has the molecular formula C151H160Ir2N29O7Pt4- and a molecular weight of 3657.88 g/mol. Its IUPAC name is 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole).

Molecular Properties

Compound Name4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole)
PubChem CID157473415
Molecular FormulaC151H160Ir2N29O7Pt4-
Molecular Weight3657.88 g/mol
Exact Mass3657.09
IUPAC Name4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole)
SMILESCC(=O)C(C)=C(C)O.COc1c[c-]c(-c2cn(C)cn2)c(C)c1.COc1c[c-]c(-c2cn(C)cn2)c(OC)c1.COc1ccc[c-]c1-c1cn(C)cn1.COc1ccc[c-]c1-c1cn(C)cn1.Cc1c(-c2[c-]cccc2)ncn1C.Cc1c(-c2[c-]cccc2)ncn1C.Cc1c(-c2[c-]cccc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.[Ir+3].[Ir+3].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/C12H13N2O2.C12H13N2O.3C12H13N2.2C11H11N2O.3C11H11N2.3C10H10N3.C6H10O2.2Ir.4Pt/c1-14-7-11(13-8-14)10-5-4-9(15-2)6-12(10)16-3;1-9-6-10(15-3)4-5-11(9)12-7-14(2)8-13-12;3*1-9-12(13-10(2)14(9)3)11-7-5-4-6-8-11;2*1-13-7-10(12-8-13)9-5-3-4-6-11(9)14-2;3*1-9-11(12-8-13(9)2)10-6-4-3-5-7-10;3*1-8-10(12-7-13(8)2)9-4-3-5-11-6-9;1-4(5(2)7)6(3)8;;;;;;/h4,6-8H,1-3H3;4,6-8H,1-3H3;3*4-7H,1-3H3;2*3-4,6-8H,1-2H3;3*3-6,8H,1-2H3;3*3,5-7H,1-2H3;7H,1-3H3;;;;;;/q13*-1;;2*+3;;3*+2
InChIKeyIJOKPZHQZRHINM-UHFFFAOYSA-N
XLogP28.18
TPSA353.78 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds19
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003657.88
LogP ≤ 528.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole) with MolForge

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Related Compounds

2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;bis(4-hydroxy-3-methylpent-3-en-2-one);2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;bis([5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol);[2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;tris(1-methyl-2-phenylimidazole);1-methyl-2-phenylimidazol-1-ium-3-ide;platinum;platinum(2+)
CID 159170022
4-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;3,5-dimethyl-1-phenyl-1,2,4-triazole;4-hydroxy-3-methylpent-3-en-2-one;4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;bis([5-methoxy-2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol);[2-(1-methylimidazol-4-yl)benzene-3-id-1-yl]methanol;platinum;tris(platinum(2+))
CID 159216006
tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));platinum;platinum(2+);tris(1,2,5-trimethyl-4-phenylimidazole)
CID 160218620
4-(2,4-Difluorobenzene-6-id-1-yl)-1,5-dimethylimidazole;4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;1,5-dimethyl-4-phenylimidazole;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(1-methyl-4-phenylimidazole)
CID 160977019

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole)?
The IUPAC name of 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole) (CID 157473415) is 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole).
What is the SMILES notation for 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole)?
The canonical SMILES for 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole) is CC(=O)C(C)=C(C)O.COc1c[c-]c(-c2cn(C)cn2)c(C)c1.COc1c[c-]c(-c2cn(C)cn2)c(OC)c1.COc1ccc[c-]c1-c1cn(C)cn1.COc1ccc[c-]c1-c1cn(C)cn1.Cc1c(-c2[c-]cccc2)ncn1C.Cc1c(-c2[c-]cccc2)ncn1C.Cc1c(-c2[c-]cccc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.Cc1c(-c2[c-]ccnc2)ncn1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.Cc1nc(-c2[c-]cccc2)c(C)n1C.[Ir+3].[Ir+3].[Pt+2].[Pt+2].[Pt+2].[Pt].
What is the InChIKey of 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole)?
The InChIKey is IJOKPZHQZRHINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2O2.C12H13N2O.3C12H13N2.2C11H11N2O.3C11H11N2.3C10H10N3.C6H10O2.2Ir.4Pt/c1-14-7-11(13-8-14)10-5-4-9(15-2)6-12(10)16-3;1-9-6-10(15-3)4-5-11(9)12-7-14(2)8-13-12;3*1-9-12(13-10(2)14(9)3)11-7-5-4-6-8-11;2*1-13-7-10(12-8-13)9-5-3-4-6-11(9)14-2;3*1-9-11(12-8-13(9)2)10-6-4-3-5-7-10;3*1-8-10(12-7-13(8)2)9-4-3-5-11-6-9;1-4(5(2)7)6(3)8;;;;;;/h4,6-8H,1-3H3;4,6-8H,1-3H3;3*4-7H,1-3H3;2*3-4,6-8H,1-2H3;3*3-6,8H,1-2H3;3*3,5-7H,1-2H3;7H,1-3H3;;;;;;/q13*-1;;2*+3;;3*+2.
What are the key properties of 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole)?
4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole) has a molecular weight of 3657.88 g/mol, XLogP of 28.18, 19 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole;tris(3-(1,5-dimethylimidazol-4-yl)-4H-pyridin-4-ide);tris(1,5-dimethyl-4-phenylimidazole);4-hydroxy-3-methylpent-3-en-2-one;bis(iridium(3+));bis(4-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);4-(4-methoxy-2-methylbenzene-6-id-1-yl)-1-methylimidazole;platinum;tris(platinum(2+));tris(1,2,5-trimethyl-4-phenylimidazole) is sourced from PubChem (CID 157473415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).