2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)

C49H40IrN4OPt-2 — CID 153276462

IUPAC2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)
SMILESCC(C)(C)Cc1ccc(-c2[c-]cccc2)nc1.Cc1[c-]c(-c2nc3ccccc3nc2-c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)cc(C)c1.[Ir].[Pt+2]
InChIInChI=1S/C33H22N3O.C16H18N.Ir.Pt/c1-22-17-23(2)19-26(18-22)33-32(35-30-14-3-4-15-31(30)36-33)25-10-8-12-28(21-25)37-27-11-7-9-24(20-27)29-13-5-6-16-34-29;1-16(2,3)11-13-9-10-15(17-12-13)14-7-5-4-6-8-14;;/h3-18H,1-2H3;4-7,9-10,12H,11H2,1-3H3;;/q-3;-1;;+2
InChIKeyTUSDPSILQNNOCA-UHFFFAOYSA-N
MW1088.18 g/mol
LogP11.97
Rot. Bonds7

About 2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)

2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+) (PubChem CID 153276462) has the molecular formula C49H40IrN4OPt-2 and a molecular weight of 1088.18 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+).

Molecular Properties

Compound Name2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)
PubChem CID153276462
Molecular FormulaC49H40IrN4OPt-2
Molecular Weight1088.18 g/mol
Exact Mass1088.25
IUPAC Name2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)
SMILESCC(C)(C)Cc1ccc(-c2[c-]cccc2)nc1.Cc1[c-]c(-c2nc3ccccc3nc2-c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)cc(C)c1.[Ir].[Pt+2]
InChIInChI=1S/C33H22N3O.C16H18N.Ir.Pt/c1-22-17-23(2)19-26(18-22)33-32(35-30-14-3-4-15-31(30)36-33)25-10-8-12-28(21-25)37-27-11-7-9-24(20-27)29-13-5-6-16-34-29;1-16(2,3)11-13-9-10-15(17-12-13)14-7-5-4-6-8-14;;/h3-18H,1-2H3;4-7,9-10,12H,11H2,1-3H3;;/q-3;-1;;+2
InChIKeyTUSDPSILQNNOCA-UHFFFAOYSA-N
XLogP11.97
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001088.18
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+) with MolForge

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Related Compounds

1-[3-[3-(4-Tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]oxybenzene-2-id-1-yl]-9-phenyl-6-(trifluoromethyl)pyrido[3,4-b]indole;platinum(2+)
CID 172116227
Bis(5-[2-(2,4-dimethoxybenzene-6-id-1-yl)-4-pyridinyl]pyrido[3,2-b]indole);platinum(2+)
CID 57873004
2-(4-Methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
CID 58352545
Iridium;2-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline
CID 58421030
Iridium;2-methyl-6-phenylpyridine;2-(2-phenyl-4-pyridinyl)quinoxaline
CID 58421061
Iridium(3+);1-(3-methoxybenzene-6-id-1-yl)isoquinoline;bis(2-[3-(2,4,4-trimethylpentan-2-yl)benzene-6-id-1-yl]benzotriazole)
CID 59307518
2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;iridium;2-(4-methoxybenzene-6-id-1-yl)pyridine
CID 59798547
2-tert-butyl-5-(3,3-dimethylspiro[6H-2-benzofuran-6-ide-1,1'-cyclopentane]-5-yl)pyrazine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 140676918
CID 140958242
CID 140958242
2-(3,5-Dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrazine;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)
CID 153276470
4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)
CID 153428739
3-[3-Tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]isoquinoline;platinum(2+)
CID 153428755

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)?
The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+) (CID 153276462) is 2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+).
What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)?
The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+) is CC(C)(C)Cc1ccc(-c2[c-]cccc2)nc1.Cc1[c-]c(-c2nc3ccccc3nc2-c2[c-]c(Oc3[c-]c(-c4ccccn4)ccc3)ccc2)cc(C)c1.[Ir].[Pt+2].
What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)?
The InChIKey is TUSDPSILQNNOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N3O.C16H18N.Ir.Pt/c1-22-17-23(2)19-26(18-22)33-32(35-30-14-3-4-15-31(30)36-33)25-10-8-12-28(21-25)37-27-11-7-9-24(20-27)29-13-5-6-16-34-29;1-16(2,3)11-13-9-10-15(17-12-13)14-7-5-4-6-8-14;;/h3-18H,1-2H3;4-7,9-10,12H,11H2,1-3H3;;/q-3;-1;;+2.
What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)?
2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+) has a molecular weight of 1088.18 g/mol, XLogP of 11.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]quinoxaline;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+) is sourced from PubChem (CID 153276462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).