CID 58517596

C15H10N2Pt — CID 58517596

IUPAC—
SMILES[Pt+2].[c-]1cccc2c1N1[CH-]N3C=CC=CC3=C1C=C2
InChIInChI=1S/C15H10N2.Pt/c1-2-6-13-12(5-1)8-9-15-14-7-3-4-10-16(14)11-17(13)15;/h1-5,7-11H;/q-2;+2
InChIKeyJQYWNIVQNJJGFZ-UHFFFAOYSA-N
MW413.34 g/mol
LogP3.05
Rot. Bonds

About CID 58517596

CID 58517596 (PubChem CID 58517596) has the molecular formula C15H10N2Pt and a molecular weight of 413.34 g/mol.

Molecular Properties

Compound NameCID 58517596
PubChem CID58517596
Molecular FormulaC15H10N2Pt
Molecular Weight413.34 g/mol
Exact Mass413.05
IUPAC Name—
SMILES[Pt+2].[c-]1cccc2c1N1[CH-]N3C=CC=CC3=C1C=C2
InChIInChI=1S/C15H10N2.Pt/c1-2-6-13-12(5-1)8-9-15-14-7-3-4-10-16(14)11-17(13)15;/h1-5,7-11H;/q-2;+2
InChIKeyJQYWNIVQNJJGFZ-UHFFFAOYSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58517596?
The IUPAC name of CID 58517596 (CID 58517596) is not available.
What is the SMILES notation for CID 58517596?
The canonical SMILES for CID 58517596 is [Pt+2].[c-]1cccc2c1N1[CH-]N3C=CC=CC3=C1C=C2.
What is the InChIKey of CID 58517596?
The InChIKey is JQYWNIVQNJJGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2.Pt/c1-2-6-13-12(5-1)8-9-15-14-7-3-4-10-16(14)11-17(13)15;/h1-5,7-11H;/q-2;+2.
What are the key properties of CID 58517596?
CID 58517596 has a molecular weight of 413.34 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58517596 is sourced from PubChem (CID 58517596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).