CID 53375352

C24H22F12N6OP2Ru — CID 53375352

IUPAC—
SMILESCN1[C]N(c2ccccn2)C=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C9H9N3.2F6P.H2O.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-11-6-7-12(8-11)9-4-2-3-5-10-9;2*1-7(2,3,4,5)6;;/h1-11H;2-7H,1H3;;;1H2;/q;;2*-1;;+2
InChIKeyHACWPUQIDHUOJP-UHFFFAOYSA-N
MW801.47 g/mol
LogP10.44
Rot. Bonds3

About CID 53375352

CID 53375352 (PubChem CID 53375352) has the molecular formula C24H22F12N6OP2Ru and a molecular weight of 801.47 g/mol.

Molecular Properties

Compound NameCID 53375352
PubChem CID53375352
Molecular FormulaC24H22F12N6OP2Ru
Molecular Weight801.47 g/mol
Exact Mass802.02
IUPAC Name—
SMILESCN1[C]N(c2ccccn2)C=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C9H9N3.2F6P.H2O.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-11-6-7-12(8-11)9-4-2-3-5-10-9;2*1-7(2,3,4,5)6;;/h1-11H;2-7H,1H3;;;1H2;/q;;2*-1;;+2
InChIKeyHACWPUQIDHUOJP-UHFFFAOYSA-N
XLogP10.44
TPSA89.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.47
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 53375352 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 53375352?
The IUPAC name of CID 53375352 (CID 53375352) is not available.
What is the SMILES notation for CID 53375352?
The canonical SMILES for CID 53375352 is CN1[C]N(c2ccccn2)C=C1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O.[Ru+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of CID 53375352?
The InChIKey is HACWPUQIDHUOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3.C9H9N3.2F6P.H2O.Ru/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-11-6-7-12(8-11)9-4-2-3-5-10-9;2*1-7(2,3,4,5)6;;/h1-11H;2-7H,1H3;;;1H2;/q;;2*-1;;+2.
What are the key properties of CID 53375352?
CID 53375352 has a molecular weight of 801.47 g/mol, XLogP of 10.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53375352 is sourced from PubChem (CID 53375352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).