CID 59522725

C28H17F3N2Pt — CID 59522725

IUPAC—
SMILESCc1c(F)c[c-]c2c1C(F)(F)c1cccc3ccnc-2c13.[Pt+2].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H9F3N.C11H8N.Pt/c1-9-13(18)6-5-11-15(9)17(19,20)12-4-2-3-10-7-8-21-16(11)14(10)12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-4,6-8H,1H3;1-6,8-9H;/q2*-1;+2
InChIKeyRFCSMVVVODCLNK-UHFFFAOYSA-N
MW633.53 g/mol
LogP7.15
Rot. Bonds1

About CID 59522725

CID 59522725 (PubChem CID 59522725) has the molecular formula C28H17F3N2Pt and a molecular weight of 633.53 g/mol.

Molecular Properties

Compound NameCID 59522725
PubChem CID59522725
Molecular FormulaC28H17F3N2Pt
Molecular Weight633.53 g/mol
Exact Mass633.10
IUPAC Name—
SMILESCc1c(F)c[c-]c2c1C(F)(F)c1cccc3ccnc-2c13.[Pt+2].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C17H9F3N.C11H8N.Pt/c1-9-13(18)6-5-11-15(9)17(19,20)12-4-2-3-10-7-8-21-16(11)14(10)12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-4,6-8H,1H3;1-6,8-9H;/q2*-1;+2
InChIKeyRFCSMVVVODCLNK-UHFFFAOYSA-N
XLogP7.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.53
LogP ≤ 57.15
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 59522725?
The IUPAC name of CID 59522725 (CID 59522725) is not available.
What is the SMILES notation for CID 59522725?
The canonical SMILES for CID 59522725 is Cc1c(F)c[c-]c2c1C(F)(F)c1cccc3ccnc-2c13.[Pt+2].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of CID 59522725?
The InChIKey is RFCSMVVVODCLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N.C11H8N.Pt/c1-9-13(18)6-5-11-15(9)17(19,20)12-4-2-3-10-7-8-21-16(11)14(10)12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-4,6-8H,1H3;1-6,8-9H;/q2*-1;+2.
What are the key properties of CID 59522725?
CID 59522725 has a molecular weight of 633.53 g/mol, XLogP of 7.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59522725 is sourced from PubChem (CID 59522725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).