CID 58709015

C21H18N2Pt — CID 58709015

IUPAC—
SMILES[Pt+2].[c-]1c2cccc1Cc1cccc(n1)C[CH-]Cc1cccc(n1)C2
InChIInChI=1S/C21H18N2.Pt/c1-5-16-13-17(6-1)15-21-12-4-10-19(23-21)8-2-7-18-9-3-11-20(14-16)22-18;/h1-6,9-12H,7-8,14-15H2;/q-2;+2
InChIKeyPNAUHOKRVCEXRE-UHFFFAOYSA-N
MW493.47 g/mol
LogP3.76
Rot. Bonds

About CID 58709015

CID 58709015 (PubChem CID 58709015) has the molecular formula C21H18N2Pt and a molecular weight of 493.47 g/mol.

Molecular Properties

Compound NameCID 58709015
PubChem CID58709015
Molecular FormulaC21H18N2Pt
Molecular Weight493.47 g/mol
Exact Mass493.11
IUPAC Name—
SMILES[Pt+2].[c-]1c2cccc1Cc1cccc(n1)C[CH-]Cc1cccc(n1)C2
InChIInChI=1S/C21H18N2.Pt/c1-5-16-13-17(6-1)15-21-12-4-10-19(23-21)8-2-7-18-9-3-11-20(14-16)22-18;/h1-6,9-12H,7-8,14-15H2;/q-2;+2
InChIKeyPNAUHOKRVCEXRE-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.47
LogP ≤ 53.76
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 58709015?
The IUPAC name of CID 58709015 (CID 58709015) is not available.
What is the SMILES notation for CID 58709015?
The canonical SMILES for CID 58709015 is [Pt+2].[c-]1c2cccc1Cc1cccc(n1)C[CH-]Cc1cccc(n1)C2.
What is the InChIKey of CID 58709015?
The InChIKey is PNAUHOKRVCEXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2.Pt/c1-5-16-13-17(6-1)15-21-12-4-10-19(23-21)8-2-7-18-9-3-11-20(14-16)22-18;/h1-6,9-12H,7-8,14-15H2;/q-2;+2.
What are the key properties of CID 58709015?
CID 58709015 has a molecular weight of 493.47 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58709015 is sourced from PubChem (CID 58709015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).