CID 59342153

C25H9F5N2O2Pt — CID 59342153

IUPAC—
SMILESO=C1c2[c-]c(ccc2)C(=O)c2cccc(n2)-c2[c-]c(c(F)c(C(F)(F)F)c2F)-c2cccc1n2.[Pt+2]
InChIInChI=1S/C25H9F5N2O2.Pt/c26-21-14-11-15(22(27)20(21)25(28,29)30)17-7-3-9-19(32-17)24(34)13-5-1-4-12(10-13)23(33)18-8-2-6-16(14)31-18;/h1-9H;/q-2;+2
InChIKeyPXJLQYIFXOWWNH-UHFFFAOYSA-N
MW659.43 g/mol
LogP5.48
Rot. Bonds

About CID 59342153

CID 59342153 (PubChem CID 59342153) has the molecular formula C25H9F5N2O2Pt and a molecular weight of 659.43 g/mol.

Molecular Properties

Compound NameCID 59342153
PubChem CID59342153
Molecular FormulaC25H9F5N2O2Pt
Molecular Weight659.43 g/mol
Exact Mass659.02
IUPAC Name—
SMILESO=C1c2[c-]c(ccc2)C(=O)c2cccc(n2)-c2[c-]c(c(F)c(C(F)(F)F)c2F)-c2cccc1n2.[Pt+2]
InChIInChI=1S/C25H9F5N2O2.Pt/c26-21-14-11-15(22(27)20(21)25(28,29)30)17-7-3-9-19(32-17)24(34)13-5-1-4-12(10-13)23(33)18-8-2-6-16(14)31-18;/h1-9H;/q-2;+2
InChIKeyPXJLQYIFXOWWNH-UHFFFAOYSA-N
XLogP5.48
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.43
LogP ≤ 55.48
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 CID 59342153?
The IUPAC name of CID 59342153 (CID 59342153) is not available.
What is the SMILES notation for CID 59342153?
The canonical SMILES for CID 59342153 is O=C1c2[c-]c(ccc2)C(=O)c2cccc(n2)-c2[c-]c(c(F)c(C(F)(F)F)c2F)-c2cccc1n2.[Pt+2].
What is the InChIKey of CID 59342153?
The InChIKey is PXJLQYIFXOWWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H9F5N2O2.Pt/c26-21-14-11-15(22(27)20(21)25(28,29)30)17-7-3-9-19(32-17)24(34)13-5-1-4-12(10-13)23(33)18-8-2-6-16(14)31-18;/h1-9H;/q-2;+2.
What are the key properties of CID 59342153?
CID 59342153 has a molecular weight of 659.43 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59342153 is sourced from PubChem (CID 59342153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).