bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+)

C18H16N6Pt — CID 58401730

IUPACbis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+)
SMILESCn1ccnc1-c1[c-]ccnc1.Cn1ccnc1-c1[c-]ccnc1.[Pt+2]
InChIInChI=1S/2C9H8N3.Pt/c2*1-12-6-5-11-9(12)8-3-2-4-10-7-8;/h2*2,4-7H,1H3;/q2*-1;+2
InChIKeyGIKIMDVPIUWMTD-UHFFFAOYSA-N
MW511.45 g/mol
LogP2.56
Rot. Bonds2

About bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+)

bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+) (PubChem CID 58401730) has the molecular formula C18H16N6Pt and a molecular weight of 511.45 g/mol. Its IUPAC name is bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+).

Molecular Properties

Compound Namebis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+)
PubChem CID58401730
Molecular FormulaC18H16N6Pt
Molecular Weight511.45 g/mol
Exact Mass511.11
IUPAC Namebis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+)
SMILESCn1ccnc1-c1[c-]ccnc1.Cn1ccnc1-c1[c-]ccnc1.[Pt+2]
InChIInChI=1S/2C9H8N3.Pt/c2*1-12-6-5-11-9(12)8-3-2-4-10-7-8;/h2*2,4-7H,1H3;/q2*-1;+2
InChIKeyGIKIMDVPIUWMTD-UHFFFAOYSA-N
XLogP2.56
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.45
LogP ≤ 52.56
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(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
CID 59661470
2-[2,4-Difluoro-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]-1-methylimidazole
CID 102401857
iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;1-methyl-2-phenylimidazole
CID 57596137
iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide
CID 57816041
Iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole
CID 58163056
1-Methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)
CID 58163118
2-(2,4-Dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum
CID 58401313
1-Methyl-2-(2-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-(2-methylbenzene-6-id-1-yl)imidazol-1-ium-3-ide;platinum
CID 58401371
iridium(3+);tris(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide)
CID 58401433
1,4-dimethyl-2-phenyl-2H-imidazol-1-ium;1-methyl-2-phenylimidazole;platinum(2+)
CID 58401579
1-Methyl-2-phenylimidazole;1-methyl-2-phenylimidazol-1-ium-3-ide;platinum
CID 58401739
Bis(2-(2-methylbenzene-6-id-1-yl)-1-propan-2-ylimidazole);platinum(2+)
CID 58401808

Frequently Asked Questions

What is the IUPAC name of bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+)?
The IUPAC name of bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+) (CID 58401730) is bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+).
What is the SMILES notation for bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+)?
The canonical SMILES for bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+) is Cn1ccnc1-c1[c-]ccnc1.Cn1ccnc1-c1[c-]ccnc1.[Pt+2].
What is the InChIKey of bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+)?
The InChIKey is GIKIMDVPIUWMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8N3.Pt/c2*1-12-6-5-11-9(12)8-3-2-4-10-7-8;/h2*2,4-7H,1H3;/q2*-1;+2.
What are the key properties of bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+)?
bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+) has a molecular weight of 511.45 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(1-methylimidazol-2-yl)-4H-pyridin-4-ide);platinum(2+) is sourced from PubChem (CID 58401730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).