CID 59522662

C27H16F2N2Pt — CID 59522662

IUPAC—
SMILESFC1(F)c2ccc[c-]c2-c2nccc3cccc1c23.[Pt+2].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C16H8F2N.C11H8N.Pt/c17-16(18)12-6-2-1-5-11(12)15-14-10(8-9-19-15)4-3-7-13(14)16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-4,6-9H;1-6,8-9H;/q2*-1;+2
InChIKeyJKIWMMYOODWVIY-UHFFFAOYSA-N
MW601.51 g/mol
LogP6.70
Rot. Bonds1

About CID 59522662

CID 59522662 (PubChem CID 59522662) has the molecular formula C27H16F2N2Pt and a molecular weight of 601.51 g/mol.

Molecular Properties

Compound NameCID 59522662
PubChem CID59522662
Molecular FormulaC27H16F2N2Pt
Molecular Weight601.51 g/mol
Exact Mass601.09
IUPAC Name—
SMILESFC1(F)c2ccc[c-]c2-c2nccc3cccc1c23.[Pt+2].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C16H8F2N.C11H8N.Pt/c17-16(18)12-6-2-1-5-11(12)15-14-10(8-9-19-15)4-3-7-13(14)16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-4,6-9H;1-6,8-9H;/q2*-1;+2
InChIKeyJKIWMMYOODWVIY-UHFFFAOYSA-N
XLogP6.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.51
LogP ≤ 56.70
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 59522662?
The IUPAC name of CID 59522662 (CID 59522662) is not available.
What is the SMILES notation for CID 59522662?
The canonical SMILES for CID 59522662 is FC1(F)c2ccc[c-]c2-c2nccc3cccc1c23.[Pt+2].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of CID 59522662?
The InChIKey is JKIWMMYOODWVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F2N.C11H8N.Pt/c17-16(18)12-6-2-1-5-11(12)15-14-10(8-9-19-15)4-3-7-13(14)16;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-4,6-9H;1-6,8-9H;/q2*-1;+2.
What are the key properties of CID 59522662?
CID 59522662 has a molecular weight of 601.51 g/mol, XLogP of 6.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59522662 is sourced from PubChem (CID 59522662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).