CID 162492147

C20H15N5OPt-2 — CID 162492147

IUPAC—
SMILESC[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)CCn3ccnc3-4)ccc2)nc1.[Pt]
InChIInChI=1S/C20H15N5O.Pt/c1-23-13-22-25(14-23)16-3-2-4-17(11-16)26-18-6-5-15-7-9-24-10-8-21-20(24)19(15)12-18;/h2-6,8,10,13H,7,9H2,1H3;/q-2;
InChIKeyJVZITJPBCGZFPZ-UHFFFAOYSA-N
MW536.45 g/mol
LogP2.31
Rot. Bonds3

About CID 162492147

CID 162492147 (PubChem CID 162492147) has the molecular formula C20H15N5OPt-2 and a molecular weight of 536.45 g/mol.

Molecular Properties

Compound NameCID 162492147
PubChem CID162492147
Molecular FormulaC20H15N5OPt-2
Molecular Weight536.45 g/mol
Exact Mass536.09
IUPAC Name—
SMILESC[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)CCn3ccnc3-4)ccc2)nc1.[Pt]
InChIInChI=1S/C20H15N5O.Pt/c1-23-13-22-25(14-23)16-3-2-4-17(11-16)26-18-6-5-15-7-9-24-10-8-21-20(24)19(15)12-18;/h2-6,8,10,13H,7,9H2,1H3;/q-2;
InChIKeyJVZITJPBCGZFPZ-UHFFFAOYSA-N
XLogP2.31
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.45
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Bis(2-(2-methoxybenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)
CID 59661441
1,4-dimethyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-imidazol-1-ium;platinum(2+)
CID 153492589
1-Methyl-2-[3-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]imidazole;palladium(2+)
CID 162451604
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-(3-methyl-2H-imidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-6,10-dihydro-5H-imidazo[1,2-c]quinazolin-10-ide;platinum
CID 162492060
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-[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

Frequently Asked Questions

What is the IUPAC name of CID 162492147?
The IUPAC name of CID 162492147 (CID 162492147) is not available.
What is the SMILES notation for CID 162492147?
The canonical SMILES for CID 162492147 is C[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)CCn3ccnc3-4)ccc2)nc1.[Pt].
What is the InChIKey of CID 162492147?
The InChIKey is JVZITJPBCGZFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O.Pt/c1-23-13-22-25(14-23)16-3-2-4-17(11-16)26-18-6-5-15-7-9-24-10-8-21-20(24)19(15)12-18;/h2-6,8,10,13H,7,9H2,1H3;/q-2;.
What are the key properties of CID 162492147?
CID 162492147 has a molecular weight of 536.45 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162492147 is sourced from PubChem (CID 162492147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).