9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)

C22H16N4OPt — CID 162492190

IUPAC9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)CCn2ccnc2-3)ccc2c1-c1nccn1CC2
InChIInChI=1S/C22H16N4O.Pt/c1-3-17(13-19-15(1)5-9-25-11-7-23-21(19)25)27-18-4-2-16-6-10-26-12-8-24-22(26)20(16)14-18;/h1-4,7-8,11-12H,5-6,9-10H2;/q-2;+2
InChIKeyDYOPGAAIAMXFEV-UHFFFAOYSA-N
MW547.48 g/mol
LogP3.92
Rot. Bonds2

About 9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)

9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) (PubChem CID 162492190) has the molecular formula C22H16N4OPt and a molecular weight of 547.48 g/mol. Its IUPAC name is 9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+).

Molecular Properties

Compound Name9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
PubChem CID162492190
Molecular FormulaC22H16N4OPt
Molecular Weight547.48 g/mol
Exact Mass547.10
IUPAC Name9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)CCn2ccnc2-3)ccc2c1-c1nccn1CC2
InChIInChI=1S/C22H16N4O.Pt/c1-3-17(13-19-15(1)5-9-25-11-7-23-21(19)25)27-18-4-2-16-6-10-26-12-8-24-22(26)20(16)14-18;/h1-4,7-8,11-12H,5-6,9-10H2;/q-2;+2
InChIKeyDYOPGAAIAMXFEV-UHFFFAOYSA-N
XLogP3.92
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) with MolForge

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Related Compounds

2-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;[5-methoxy-2-(1-methylimidazol-2-yl)benzene-3-id-1-yl]methanol;platinum
CID 58401401
Iridium(3+);2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole;bis(1-methyl-2-phenylimidazole)
CID 58401633
Bis(2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)
CID 59661441
Tris(2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole);iridium(3+)
CID 59661504
Bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)
CID 59661525
Bis(2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);iridium(3+);2-(2-methoxy-4-methylbenzene-6-id-1-yl)-1-methylimidazole
CID 59661608
2-(2,4-Dimethoxybenzene-6-id-1-yl)-1-methylimidazole;3-methoxy-4-(1-methylimidazol-2-yl)benzene-5-ide-1-carbaldehyde;platinum(2+)
CID 59661654
1-Methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+)
CID 162451604
platinum(2+);2,5,5-trimethyl-9-[(2-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide
CID 162492039
7-methyl-9-[(7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
CID 162492043
3-isocyano-9-[3-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 162492048
9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum(2+)
CID 162492053

Frequently Asked Questions

What is the IUPAC name of 9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The IUPAC name of 9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) (CID 162492190) is 9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+).
What is the SMILES notation for 9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The canonical SMILES for 9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)CCn2ccnc2-3)ccc2c1-c1nccn1CC2.
What is the InChIKey of 9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The InChIKey is DYOPGAAIAMXFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O.Pt/c1-3-17(13-19-15(1)5-9-25-11-7-23-21(19)25)27-18-4-2-16-6-10-26-12-8-24-22(26)20(16)14-18;/h1-4,7-8,11-12H,5-6,9-10H2;/q-2;+2.
What are the key properties of 9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) has a molecular weight of 547.48 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yloxy)-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+) is sourced from PubChem (CID 162492190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).