CID 155804412

C20H15F2N4Pt-2 — CID 155804412

IUPAC—
SMILESCN1[C-]N(c2ccccn2)C=C1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt]
InChIInChI=1S/C11H6F2N.C9H9N3.Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-11-6-7-12(8-11)9-4-2-3-5-10-9;/h1-4,6-7H;2-7H,1H3;/q2*-1;
InChIKeyPFPZOJRAVIDDKD-UHFFFAOYSA-N
MW544.44 g/mol
LogP4.13
Rot. Bonds2

About CID 155804412

CID 155804412 (PubChem CID 155804412) has the molecular formula C20H15F2N4Pt-2 and a molecular weight of 544.44 g/mol.

Molecular Properties

Compound NameCID 155804412
PubChem CID155804412
Molecular FormulaC20H15F2N4Pt-2
Molecular Weight544.44 g/mol
Exact Mass544.09
IUPAC Name—
SMILESCN1[C-]N(c2ccccn2)C=C1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt]
InChIInChI=1S/C11H6F2N.C9H9N3.Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-11-6-7-12(8-11)9-4-2-3-5-10-9;/h1-4,6-7H;2-7H,1H3;/q2*-1;
InChIKeyPFPZOJRAVIDDKD-UHFFFAOYSA-N
XLogP4.13
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.44
LogP ≤ 54.13
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 155804412?
The IUPAC name of CID 155804412 (CID 155804412) is not available.
What is the SMILES notation for CID 155804412?
The canonical SMILES for CID 155804412 is CN1[C-]N(c2ccccn2)C=C1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Pt].
What is the InChIKey of CID 155804412?
The InChIKey is PFPZOJRAVIDDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N.C9H9N3.Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-11-6-7-12(8-11)9-4-2-3-5-10-9;/h1-4,6-7H;2-7H,1H3;/q2*-1;.
What are the key properties of CID 155804412?
CID 155804412 has a molecular weight of 544.44 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155804412 is sourced from PubChem (CID 155804412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).