9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-)

C29H44Cl3NO2Pt — CID 11556750

IUPAC9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-)
SMILESCCCC[N+](CCCC)(CCCC)CCCC.Cl[Pt-](Cl)Cl.O=C1C=Cc2cccc3ccc(O)c1c23
InChIInChI=1S/C16H36N.C13H8O2.3ClH.Pt/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;14-10-6-4-8-2-1-3-9-5-7-11(15)13(10)12(8)9;;;;/h5-16H2,1-4H3;1-7,14H;3*1H;/q+1;;;;;+2/p-3
InChIKeyRPVAIEOWTSXSDT-UHFFFAOYSA-K
MW740.11 g/mol
LogP9.82
Rot. Bonds12

About 9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-)

9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-) (PubChem CID 11556750) has the molecular formula C29H44Cl3NO2Pt and a molecular weight of 740.11 g/mol. Its IUPAC name is 9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-).

Molecular Properties

Compound Name9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-)
PubChem CID11556750
Molecular FormulaC29H44Cl3NO2Pt
Molecular Weight740.11 g/mol
Exact Mass738.21
IUPAC Name9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-)
SMILESCCCC[N+](CCCC)(CCCC)CCCC.Cl[Pt-](Cl)Cl.O=C1C=Cc2cccc3ccc(O)c1c23
InChIInChI=1S/C16H36N.C13H8O2.3ClH.Pt/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;14-10-6-4-8-2-1-3-9-5-7-11(15)13(10)12(8)9;;;;/h5-16H2,1-4H3;1-7,14H;3*1H;/q+1;;;;;+2/p-3
InChIKeyRPVAIEOWTSXSDT-UHFFFAOYSA-K
XLogP9.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.11
LogP ≤ 59.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-)?
The IUPAC name of 9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-) (CID 11556750) is 9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-).
What is the SMILES notation for 9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-)?
The canonical SMILES for 9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-) is CCCC[N+](CCCC)(CCCC)CCCC.Cl[Pt-](Cl)Cl.O=C1C=Cc2cccc3ccc(O)c1c23.
What is the InChIKey of 9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-)?
The InChIKey is RPVAIEOWTSXSDT-UHFFFAOYSA-K. The full InChI is InChI=1S/C16H36N.C13H8O2.3ClH.Pt/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;14-10-6-4-8-2-1-3-9-5-7-11(15)13(10)12(8)9;;;;/h5-16H2,1-4H3;1-7,14H;3*1H;/q+1;;;;;+2/p-3.
What are the key properties of 9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-)?
9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-) has a molecular weight of 740.11 g/mol, XLogP of 9.82, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxyphenalen-1-one;tetrabutylazanium;trichloroplatinum(1-) is sourced from PubChem (CID 11556750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).