carbanide;pentakis(cyclopenta-1,3-diene);platinum

C28H34Pt-8 — CID 175422555

IUPACcarbanide;pentakis(cyclopenta-1,3-diene);platinum
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[Pt]
InChIInChI=1S/5C5H5.3CH3.Pt/c5*1-2-4-5-3-1;;;;/h5*1-3H,4H2;3*1H3;/q8*-1;
InChIKeyJWILTXMSINVIPG-UHFFFAOYSA-N
MW565.66 g/mol
LogP7.88
Rot. Bonds

About carbanide;pentakis(cyclopenta-1,3-diene);platinum

carbanide;pentakis(cyclopenta-1,3-diene);platinum (PubChem CID 175422555) has the molecular formula C28H34Pt-8 and a molecular weight of 565.66 g/mol. Its IUPAC name is carbanide;pentakis(cyclopenta-1,3-diene);platinum.

Molecular Properties

Compound Namecarbanide;pentakis(cyclopenta-1,3-diene);platinum
PubChem CID175422555
Molecular FormulaC28H34Pt-8
Molecular Weight565.66 g/mol
Exact Mass565.24
IUPAC Namecarbanide;pentakis(cyclopenta-1,3-diene);platinum
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[Pt]
InChIInChI=1S/5C5H5.3CH3.Pt/c5*1-2-4-5-3-1;;;;/h5*1-3H,4H2;3*1H3;/q8*-1;
InChIKeyJWILTXMSINVIPG-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.66
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
carbanide;cyclopenta-1,3-diene;zinc
CID 173150447
carbanide;cyclopenta-1,3-diene;iridium tetrahydride
CID 173399564
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
carbanide;cyclopenta-1,3-diene;hydride;titanium(3+)
CID 173197965
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
CID 173293314
azanide;carbanide;cyclopenta-1,3-diene;zirconium
CID 175410282
carbanide;cyclopenta-1,3-diene;titanium(4+);chloride
CID 87905674

Frequently Asked Questions

What is the IUPAC name of carbanide;pentakis(cyclopenta-1,3-diene);platinum?
The IUPAC name of carbanide;pentakis(cyclopenta-1,3-diene);platinum (CID 175422555) is carbanide;pentakis(cyclopenta-1,3-diene);platinum.
What is the SMILES notation for carbanide;pentakis(cyclopenta-1,3-diene);platinum?
The canonical SMILES for carbanide;pentakis(cyclopenta-1,3-diene);platinum is [C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[Pt].
What is the InChIKey of carbanide;pentakis(cyclopenta-1,3-diene);platinum?
The InChIKey is JWILTXMSINVIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/5C5H5.3CH3.Pt/c5*1-2-4-5-3-1;;;;/h5*1-3H,4H2;3*1H3;/q8*-1;.
What are the key properties of carbanide;pentakis(cyclopenta-1,3-diene);platinum?
carbanide;pentakis(cyclopenta-1,3-diene);platinum has a molecular weight of 565.66 g/mol, XLogP of 7.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;pentakis(cyclopenta-1,3-diene);platinum is sourced from PubChem (CID 175422555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).