CID 59522706

C27H14F4N2Pt — CID 59522706

IUPAC—
SMILESFC1(F)c2ccc[c-]c2-c2nccc3cccc1c23.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt+2]
InChIInChI=1S/C16H8F2N.C11H6F2N.Pt/c17-16(18)12-6-2-1-5-11(12)15-14-10(8-9-19-15)4-3-7-13(14)16;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h1-4,6-9H;1-4,6-7H;/q2*-1;+2
InChIKeyWJFRGCYGFKAXQW-UHFFFAOYSA-N
MW637.49 g/mol
LogP6.98
Rot. Bonds1

About CID 59522706

CID 59522706 (PubChem CID 59522706) has the molecular formula C27H14F4N2Pt and a molecular weight of 637.49 g/mol.

Molecular Properties

Compound NameCID 59522706
PubChem CID59522706
Molecular FormulaC27H14F4N2Pt
Molecular Weight637.49 g/mol
Exact Mass637.07
IUPAC Name—
SMILESFC1(F)c2ccc[c-]c2-c2nccc3cccc1c23.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt+2]
InChIInChI=1S/C16H8F2N.C11H6F2N.Pt/c17-16(18)12-6-2-1-5-11(12)15-14-10(8-9-19-15)4-3-7-13(14)16;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h1-4,6-9H;1-4,6-7H;/q2*-1;+2
InChIKeyWJFRGCYGFKAXQW-UHFFFAOYSA-N
XLogP6.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.49
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 59522706?
The IUPAC name of CID 59522706 (CID 59522706) is not available.
What is the SMILES notation for CID 59522706?
The canonical SMILES for CID 59522706 is FC1(F)c2ccc[c-]c2-c2nccc3cccc1c23.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt+2].
What is the InChIKey of CID 59522706?
The InChIKey is WJFRGCYGFKAXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N.C11H6F2N.Pt/c17-16(18)12-6-2-1-5-11(12)15-14-10(8-9-19-15)4-3-7-13(14)16;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h1-4,6-9H;1-4,6-7H;/q2*-1;+2.
What are the key properties of CID 59522706?
CID 59522706 has a molecular weight of 637.49 g/mol, XLogP of 6.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59522706 is sourced from PubChem (CID 59522706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).