pentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide

C22H23N2O2PtS- — CID 23569969

IUPACpentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide
SMILESCC(O)CC(C)O.[Pt].[c-]1cccc2c1N(c1ccccn1)c1ccccc1S2
InChIInChI=1S/C17H11N2S.C5H12O2.Pt/c1-3-9-15-13(7-1)19(17-11-5-6-12-18-17)14-8-2-4-10-16(14)20-15;1-4(6)3-5(2)7;/h1-7,9-12H;4-7H,3H2,1-2H3;/q-1;;
InChIKeyZBRPAEAHUDPWOY-UHFFFAOYSA-N
MW574.58 g/mol
LogP4.95
Rot. Bonds3

About pentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide

pentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide (PubChem CID 23569969) has the molecular formula C22H23N2O2PtS- and a molecular weight of 574.58 g/mol. Its IUPAC name is pentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide.

Molecular Properties

Compound Namepentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide
PubChem CID23569969
Molecular FormulaC22H23N2O2PtS-
Molecular Weight574.58 g/mol
Exact Mass574.11
IUPAC Namepentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide
SMILESCC(O)CC(C)O.[Pt].[c-]1cccc2c1N(c1ccccn1)c1ccccc1S2
InChIInChI=1S/C17H11N2S.C5H12O2.Pt/c1-3-9-15-13(7-1)19(17-11-5-6-12-18-17)14-8-2-4-10-16(14)20-15;1-4(6)3-5(2)7;/h1-7,9-12H;4-7H,3H2,1-2H3;/q-1;;
InChIKeyZBRPAEAHUDPWOY-UHFFFAOYSA-N
XLogP4.95
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.58
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 pentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide?
The IUPAC name of pentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide (CID 23569969) is pentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide.
What is the SMILES notation for pentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide?
The canonical SMILES for pentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide is CC(O)CC(C)O.[Pt].[c-]1cccc2c1N(c1ccccn1)c1ccccc1S2.
What is the InChIKey of pentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide?
The InChIKey is ZBRPAEAHUDPWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N2S.C5H12O2.Pt/c1-3-9-15-13(7-1)19(17-11-5-6-12-18-17)14-8-2-4-10-16(14)20-15;1-4(6)3-5(2)7;/h1-7,9-12H;4-7H,3H2,1-2H3;/q-1;;.
What are the key properties of pentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide?
pentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide has a molecular weight of 574.58 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-2,4-diol;platinum;10-pyridin-2-yl-1H-phenothiazin-1-ide is sourced from PubChem (CID 23569969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).