9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+)

C27H23N5OPt — CID 162492092

IUPAC9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
SMILES[C-]#[N+]c1cnc2n1CCc1c-2[c-]c(Oc2[c-]c3c(c(C)c2)CC(C)(C)n2ccnc2-3)cc1C.[Pt+2]
InChIInChI=1S/C27H23N5O.Pt/c1-16-10-18(12-21-20(16)6-8-31-24(28-5)15-30-25(21)31)33-19-11-17(2)23-14-27(3,4)32-9-7-29-26(32)22(23)13-19;/h7,9-11,15H,6,8,14H2,1-4H3;/q-2;+2
InChIKeyUEIWAWOCYXSXEG-UHFFFAOYSA-N
MW628.59 g/mol
LogP5.82
Rot. Bonds2

About 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+)

9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+) (PubChem CID 162492092) has the molecular formula C27H23N5OPt and a molecular weight of 628.59 g/mol. Its IUPAC name is 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+).

Molecular Properties

Compound Name9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
PubChem CID162492092
Molecular FormulaC27H23N5OPt
Molecular Weight628.59 g/mol
Exact Mass628.16
IUPAC Name9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
SMILES[C-]#[N+]c1cnc2n1CCc1c-2[c-]c(Oc2[c-]c3c(c(C)c2)CC(C)(C)n2ccnc2-3)cc1C.[Pt+2]
InChIInChI=1S/C27H23N5O.Pt/c1-16-10-18(12-21-20(16)6-8-31-24(28-5)15-30-25(21)31)33-19-11-17(2)23-14-27(3,4)32-9-7-29-26(32)22(23)13-19;/h7,9-11,15H,6,8,14H2,1-4H3;/q-2;+2
InChIKeyUEIWAWOCYXSXEG-UHFFFAOYSA-N
XLogP5.82
TPSA49.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.59
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+) with MolForge

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Related Compounds

Bis(2-(2,4-dimethoxybenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)
CID 59661525
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
9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6-methyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)
CID 162492065
9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,7-dimethyl-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)
CID 162492067
9-[(2,7-dimethyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-2,7-dimethyl-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum(2+)
CID 162492073
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 162492081
platinum(2+);5,5,7-trimethyl-9-[(7-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 162492083
2,6-dimethyl-9-[(2-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,10-dihydroimidazo[1,2-c]quinazolin-10-ide;platinum(2+)
CID 162492085
9-[(3-isocyano-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum(2+)
CID 162492087

Frequently Asked Questions

What is the IUPAC name of 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The IUPAC name of 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+) (CID 162492092) is 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+).
What is the SMILES notation for 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The canonical SMILES for 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+) is [C-]#[N+]c1cnc2n1CCc1c-2[c-]c(Oc2[c-]c3c(c(C)c2)CC(C)(C)n2ccnc2-3)cc1C.[Pt+2].
What is the InChIKey of 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
The InChIKey is UEIWAWOCYXSXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O.Pt/c1-16-10-18(12-21-20(16)6-8-31-24(28-5)15-30-25(21)31)33-19-11-17(2)23-14-27(3,4)32-9-7-29-26(32)22(23)13-19;/h7,9-11,15H,6,8,14H2,1-4H3;/q-2;+2.
What are the key properties of 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+)?
9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+) has a molecular weight of 628.59 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-isocyano-7-methyl-6,10-dihydro-5H-imidazo[2,1-a]isoquinolin-10-id-9-yl)oxy]-5,5,7-trimethyl-6,10-dihydroimidazo[2,1-a]isoquinolin-10-ide;platinum(2+) is sourced from PubChem (CID 162492092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).