bis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide)

C48H46N8Pt2-6 — CID 176622039

IUPACbis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide)
SMILESCC(C)c1ccc2c(n1)[n-]c1ccccc12.CC(C)c1ccc2c(n1)[n-]c1ccccc12.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.[Pt].[Pt]
InChIInChI=1S/2C14H13N2.2C10H10N2.2Pt/c2*1-9(2)12-8-7-11-10-5-3-4-6-13(10)16-14(11)15-12;2*1-11-7-8-12(9-11)10-5-3-2-4-6-10;;/h2*3-9H,1-2H3;2*2-5,7-9H,1H3;;/q2*-1;2*-2;;
InChIKeyZVXZXKMMGNPZDT-UHFFFAOYSA-N
MW1125.11 g/mol
LogP10.59
Rot. Bonds4

About bis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide)

bis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide) (PubChem CID 176622039) has the molecular formula C48H46N8Pt2-6 and a molecular weight of 1125.11 g/mol. Its IUPAC name is bis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide).

Molecular Properties

Compound Namebis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide)
PubChem CID176622039
Molecular FormulaC48H46N8Pt2-6
Molecular Weight1125.11 g/mol
Exact Mass1124.32
IUPAC Namebis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide)
SMILESCC(C)c1ccc2c(n1)[n-]c1ccccc12.CC(C)c1ccc2c(n1)[n-]c1ccccc12.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.[Pt].[Pt]
InChIInChI=1S/2C14H13N2.2C10H10N2.2Pt/c2*1-9(2)12-8-7-11-10-5-3-4-6-13(10)16-14(11)15-12;2*1-11-7-8-12(9-11)10-5-3-2-4-6-10;;/h2*3-9H,1-2H3;2*2-5,7-9H,1H3;;/q2*-1;2*-2;;
InChIKeyZVXZXKMMGNPZDT-UHFFFAOYSA-N
XLogP10.59
TPSA66.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.11
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide)
CID 176622038
1,3-di(phenyl)-2H-imidazol-2-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 168830637
bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide)
CID 176621912
ethane;ethanol;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine
CID 162283599
CID 153299176
CID 153299176
CID 153299135
CID 153299135
CID 153299125
CID 153299125
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide
CID 140735871
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-benzimidazol-2-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide
CID 140808122
3,5-dimethyl-2-pyrazol-2-id-3-ylpyridine;iridium(3+);1-methyl-3-phenyl-2H-imidazol-2-ide
CID 168848342
iridium(3+);1-methyl-3-phenyl-2H-imidazol-2-ide;pentane-2,4-diol;1-phenyl-6-(3,3,5,5-tetramethylcyclohexyl)isoquinoline
CID 156674459
bis(2-phenylpyridine);bis(2-phenylpyrido[2,3-b]indol-9-ide);bis(platinum(2+))
CID 176622002

Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide)?
The IUPAC name of bis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide) (CID 176622039) is bis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide).
What is the SMILES notation for bis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide)?
The canonical SMILES for bis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide) is CC(C)c1ccc2c(n1)[n-]c1ccccc12.CC(C)c1ccc2c(n1)[n-]c1ccccc12.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.[Pt].[Pt].
What is the InChIKey of bis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide)?
The InChIKey is ZVXZXKMMGNPZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13N2.2C10H10N2.2Pt/c2*1-9(2)12-8-7-11-10-5-3-4-6-13(10)16-14(11)15-12;2*1-11-7-8-12(9-11)10-5-3-2-4-6-10;;/h2*3-9H,1-2H3;2*2-5,7-9H,1H3;;/q2*-1;2*-2;;.
What are the key properties of bis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide)?
bis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide) has a molecular weight of 1125.11 g/mol, XLogP of 10.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-3-phenyl-2H-imidazol-2-ide);platinum;bis(2-propan-2-ylpyrido[2,3-b]indol-9-ide) is sourced from PubChem (CID 176622039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).