cycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+)

C24H32N2Pt — CID 158055114

IUPACcycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+)
SMILESC1=CCCC=CCC1.CN(C)c1cc[c-]cc1.CN(C)c1cc[c-]cc1.[Pt+2]
InChIInChI=1S/2C8H10N.C8H12.Pt/c2*1-9(2)8-6-4-3-5-7-8;1-2-4-6-8-7-5-3-1;/h2*4-7H,1-2H3;1-2,7-8H,3-6H2;/q2*-1;;+2
InChIKeyNCGQMQMJUDHHNE-UHFFFAOYSA-N
MW543.61 g/mol
LogP5.78
Rot. Bonds2

About cycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+)

cycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+) (PubChem CID 158055114) has the molecular formula C24H32N2Pt and a molecular weight of 543.61 g/mol. Its IUPAC name is cycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+).

Molecular Properties

Compound Namecycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+)
PubChem CID158055114
Molecular FormulaC24H32N2Pt
Molecular Weight543.61 g/mol
Exact Mass543.22
IUPAC Namecycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+)
SMILESC1=CCCC=CCC1.CN(C)c1cc[c-]cc1.CN(C)c1cc[c-]cc1.[Pt+2]
InChIInChI=1S/2C8H10N.C8H12.Pt/c2*1-9(2)8-6-4-3-5-7-8;1-2-4-6-8-7-5-3-1;/h2*4-7H,1-2H3;1-2,7-8H,3-6H2;/q2*-1;;+2
InChIKeyNCGQMQMJUDHHNE-UHFFFAOYSA-N
XLogP5.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.61
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+)?
The IUPAC name of cycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+) (CID 158055114) is cycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+).
What is the SMILES notation for cycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+)?
The canonical SMILES for cycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+) is C1=CCCC=CCC1.CN(C)c1cc[c-]cc1.CN(C)c1cc[c-]cc1.[Pt+2].
What is the InChIKey of cycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+)?
The InChIKey is NCGQMQMJUDHHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10N.C8H12.Pt/c2*1-9(2)8-6-4-3-5-7-8;1-2-4-6-8-7-5-3-1;/h2*4-7H,1-2H3;1-2,7-8H,3-6H2;/q2*-1;;+2.
What are the key properties of cycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+)?
cycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+) has a molecular weight of 543.61 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocta-1,5-diene;bis(N,N-dimethylaniline);platinum(2+) is sourced from PubChem (CID 158055114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).