1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole)

C73H86Ir2N8 — CID 162023142

IUPAC1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole)
SMILESCC(C)c1cc(C(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)C)c1.CN1C=CN(c2[c-]ccc3c2CCC3)[CH-]1.Cc1[c-]c(N2C=CN(C)[CH-]2)cc(C)c1.[Ir+3].[Ir+3]
InChIInChI=1S/2C24H29N2.C13H14N2.C12H14N2.2Ir/c2*1-16(2)20-14-21(17(3)4)23(22(15-20)18(5)6)26-13-12-25-24(26)19-10-8-7-9-11-19;1-14-8-9-15(10-14)13-7-3-5-11-4-2-6-12(11)13;1-10-6-11(2)8-12(7-10)14-5-4-13(3)9-14;;/h2*7-10,12-18H,1-6H3;3,5,8-10H,2,4,6H2,1H3;4-7,9H,1-3H3;;/q2*-1;2*-2;2*+3
InChIKeyZZGJGAGRDADGFK-UHFFFAOYSA-N
MW1459.98 g/mol
LogP18.18
Rot. Bonds12

About 1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole)

1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole) (PubChem CID 162023142) has the molecular formula C73H86Ir2N8 and a molecular weight of 1459.98 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole).

Molecular Properties

Compound Name1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole)
PubChem CID162023142
Molecular FormulaC73H86Ir2N8
Molecular Weight1459.98 g/mol
Exact Mass1460.62
IUPAC Name1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole)
SMILESCC(C)c1cc(C(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)C)c1.CN1C=CN(c2[c-]ccc3c2CCC3)[CH-]1.Cc1[c-]c(N2C=CN(C)[CH-]2)cc(C)c1.[Ir+3].[Ir+3]
InChIInChI=1S/2C24H29N2.C13H14N2.C12H14N2.2Ir/c2*1-16(2)20-14-21(17(3)4)23(22(15-20)18(5)6)26-13-12-25-24(26)19-10-8-7-9-11-19;1-14-8-9-15(10-14)13-7-3-5-11-4-2-6-12(11)13;1-10-6-11(2)8-12(7-10)14-5-4-13(3)9-14;;/h2*7-10,12-18H,1-6H3;3,5,8-10H,2,4,6H2,1H3;4-7,9H,1-3H3;;/q2*-1;2*-2;2*+3
InChIKeyZZGJGAGRDADGFK-UHFFFAOYSA-N
XLogP18.18
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001459.98
LogP ≤ 518.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole) with MolForge

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);3-(3-methyl-2H-imidazol-2-id-1-yl)-9-phenyl-2H-carbazol-2-ide
CID 140810179
tetrakis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);bis(iridium);bis(2-(3-methyl-2H-imidazol-2-id-1-yl)-9-phenyl-3H-carbazol-3-ide)
CID 159178169
iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 153499828
bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);iridium(3+);2-phenylpyridine
CID 170539461
tris(1-[2-(2,6-dimethylphenyl)-6-propan-2-ylphenyl]-2-phenylimidazole);iridium(3+)
CID 86292659
1-[2,6-dicyclopentyl-4-(4-propan-2-ylphenyl)phenyl]-2-phenylimidazole;iridium
CID 58175683
CID 158857881
CID 158857881
1,2-bis(2,6-dimethylphenyl)-3-pyridin-2-yl-4H-1,3,2-benzodiazaborol-4-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium
CID 156623127
1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;iridium(3+);9-methyl-7-phenyl-8H-purin-8-ide
CID 58556384
CID 140637801
CID 140637801
1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-2-phenylimidazole;iridium
CID 58400950
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;iridium
CID 58400868

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole)?
The IUPAC name of 1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole) (CID 162023142) is 1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole).
What is the SMILES notation for 1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole)?
The canonical SMILES for 1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole) is CC(C)c1cc(C(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)C)c1.CC(C)c1cc(C(C)C)c(-n2ccnc2-c2[c-]cccc2)c(C(C)C)c1.CN1C=CN(c2[c-]ccc3c2CCC3)[CH-]1.Cc1[c-]c(N2C=CN(C)[CH-]2)cc(C)c1.[Ir+3].[Ir+3].
What is the InChIKey of 1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole)?
The InChIKey is ZZGJGAGRDADGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H29N2.C13H14N2.C12H14N2.2Ir/c2*1-16(2)20-14-21(17(3)4)23(22(15-20)18(5)6)26-13-12-25-24(26)19-10-8-7-9-11-19;1-14-8-9-15(10-14)13-7-3-5-11-4-2-6-12(11)13;1-10-6-11(2)8-12(7-10)14-5-4-13(3)9-14;;/h2*7-10,12-18H,1-6H3;3,5,8-10H,2,4,6H2,1H3;4-7,9H,1-3H3;;/q2*-1;2*-2;2*+3.
What are the key properties of 1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole)?
1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole) has a molecular weight of 1459.98 g/mol, XLogP of 18.18, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide;bis(iridium(3+));1-methyl-3-(1,2,3,5-tetrahydroinden-5-id-4-yl)-2H-imidazol-2-ide;bis(2-phenyl-1-[2,4,6-tri(propan-2-yl)phenyl]imidazole) is sourced from PubChem (CID 162023142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).