bis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+)

C34H28N4Pt — CID 58756167

IUPACbis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+)
SMILESCC(c1[c-]cccc1)(c1[c-]cccc1)n1cccn1.CC(c1[c-]cccc1)(c1[c-]cccc1)n1cccn1.[Pt+4]
InChIInChI=1S/2C17H14N2.Pt/c2*1-17(19-14-8-13-18-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16;/h2*2-9,11,13-14H,1H3;/q2*-2;+4
InChIKeyOCDMFQZMCGCRQM-UHFFFAOYSA-N
MW687.70 g/mol
LogP6.59
Rot. Bonds6

About bis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+)

bis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+) (PubChem CID 58756167) has the molecular formula C34H28N4Pt and a molecular weight of 687.70 g/mol. Its IUPAC name is bis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+).

Molecular Properties

Compound Namebis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+)
PubChem CID58756167
Molecular FormulaC34H28N4Pt
Molecular Weight687.70 g/mol
Exact Mass687.20
IUPAC Namebis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+)
SMILESCC(c1[c-]cccc1)(c1[c-]cccc1)n1cccn1.CC(c1[c-]cccc1)(c1[c-]cccc1)n1cccn1.[Pt+4]
InChIInChI=1S/2C17H14N2.Pt/c2*1-17(19-14-8-13-18-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16;/h2*2-9,11,13-14H,1H3;/q2*-2;+4
InChIKeyOCDMFQZMCGCRQM-UHFFFAOYSA-N
XLogP6.59
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.70
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+)?
The IUPAC name of bis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+) (CID 58756167) is bis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+).
What is the SMILES notation for bis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+)?
The canonical SMILES for bis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+) is CC(c1[c-]cccc1)(c1[c-]cccc1)n1cccn1.CC(c1[c-]cccc1)(c1[c-]cccc1)n1cccn1.[Pt+4].
What is the InChIKey of bis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+)?
The InChIKey is OCDMFQZMCGCRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14N2.Pt/c2*1-17(19-14-8-13-18-19,15-9-4-2-5-10-15)16-11-6-3-7-12-16;/h2*2-9,11,13-14H,1H3;/q2*-2;+4.
What are the key properties of bis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+)?
bis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+) has a molecular weight of 687.70 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[1,1-di(phenyl)ethyl]pyrazole);platinum(4+) is sourced from PubChem (CID 58756167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).