CID 140590993

C46H36N10Pt2-6 — CID 140590993

IUPAC—
SMILES[Pt].[Pt].[c-]1ccccc1N1[CH-]N(c2ccccc2)N=C1c1ccccc1.[c-]1ccccc1N1[CH-]N(c2ccccc2)N=C1c1ccccc1.c1cn[n-]c1.c1cn[n-]c1
InChIInChI=1S/2C20H15N3.2C3H3N2.2Pt/c2*1-4-10-17(11-5-1)20-21-23(19-14-8-3-9-15-19)16-22(20)18-12-6-2-7-13-18;2*1-2-4-5-3-1;;/h2*1-12,14-16H;2*1-3H;;/q2*-2;2*-1;;
InChIKeyIDLFEUVMZOGNJG-UHFFFAOYSA-N
MW1119.02 g/mol
LogP8.66
Rot. Bonds6

About CID 140590993

CID 140590993 (PubChem CID 140590993) has the molecular formula C46H36N10Pt2-6 and a molecular weight of 1119.02 g/mol.

Molecular Properties

Compound NameCID 140590993
PubChem CID140590993
Molecular FormulaC46H36N10Pt2-6
Molecular Weight1119.02 g/mol
Exact Mass1118.25
IUPAC Name—
SMILES[Pt].[Pt].[c-]1ccccc1N1[CH-]N(c2ccccc2)N=C1c1ccccc1.[c-]1ccccc1N1[CH-]N(c2ccccc2)N=C1c1ccccc1.c1cn[n-]c1.c1cn[n-]c1
InChIInChI=1S/2C20H15N3.2C3H3N2.2Pt/c2*1-4-10-17(11-5-1)20-21-23(19-14-8-3-9-15-19)16-22(20)18-12-6-2-7-13-18;2*1-2-4-5-3-1;;/h2*1-12,14-16H;2*1-3H;;/q2*-2;2*-1;;
InChIKeyIDLFEUVMZOGNJG-UHFFFAOYSA-N
XLogP8.66
TPSA91.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001119.02
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze CID 140590993 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 140590993?
The IUPAC name of CID 140590993 (CID 140590993) is not available.
What is the SMILES notation for CID 140590993?
The canonical SMILES for CID 140590993 is [Pt].[Pt].[c-]1ccccc1N1[CH-]N(c2ccccc2)N=C1c1ccccc1.[c-]1ccccc1N1[CH-]N(c2ccccc2)N=C1c1ccccc1.c1cn[n-]c1.c1cn[n-]c1.
What is the InChIKey of CID 140590993?
The InChIKey is IDLFEUVMZOGNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15N3.2C3H3N2.2Pt/c2*1-4-10-17(11-5-1)20-21-23(19-14-8-3-9-15-19)16-22(20)18-12-6-2-7-13-18;2*1-2-4-5-3-1;;/h2*1-12,14-16H;2*1-3H;;/q2*-2;2*-1;;.
What are the key properties of CID 140590993?
CID 140590993 has a molecular weight of 1119.02 g/mol, XLogP of 8.66, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140590993 is sourced from PubChem (CID 140590993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).