CID 58517802

C15H11N2Pt- — CID 58517802

IUPAC—
SMILESCc1c(C)c2cn3ccnc3c3[c-]ccc1c23.[Pt]
InChIInChI=1S/C15H11N2.Pt/c1-9-10(2)13-8-17-7-6-16-15(17)12-5-3-4-11(9)14(12)13;/h3-4,6-8H,1-2H3;/q-1;
InChIKeyRFNWVGRMXWJIIQ-UHFFFAOYSA-N
MW414.35 g/mol
LogP3.49
Rot. Bonds

About CID 58517802

CID 58517802 (PubChem CID 58517802) has the molecular formula C15H11N2Pt- and a molecular weight of 414.35 g/mol.

Molecular Properties

Compound NameCID 58517802
PubChem CID58517802
Molecular FormulaC15H11N2Pt-
Molecular Weight414.35 g/mol
Exact Mass414.06
IUPAC Name—
SMILESCc1c(C)c2cn3ccnc3c3[c-]ccc1c23.[Pt]
InChIInChI=1S/C15H11N2.Pt/c1-9-10(2)13-8-17-7-6-16-15(17)12-5-3-4-11(9)14(12)13;/h3-4,6-8H,1-2H3;/q-1;
InChIKeyRFNWVGRMXWJIIQ-UHFFFAOYSA-N
XLogP3.49
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 53.49
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 58517802?
The IUPAC name of CID 58517802 (CID 58517802) is not available.
What is the SMILES notation for CID 58517802?
The canonical SMILES for CID 58517802 is Cc1c(C)c2cn3ccnc3c3[c-]ccc1c23.[Pt].
What is the InChIKey of CID 58517802?
The InChIKey is RFNWVGRMXWJIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N2.Pt/c1-9-10(2)13-8-17-7-6-16-15(17)12-5-3-4-11(9)14(12)13;/h3-4,6-8H,1-2H3;/q-1;.
What are the key properties of CID 58517802?
CID 58517802 has a molecular weight of 414.35 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58517802 is sourced from PubChem (CID 58517802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).