CID 153428963

C36H18N6OPt — CID 153428963

IUPAC—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ncccc2n2c4ccccc4nc32)ccc2c1c1nc3ccccc3n1c1cccnc21
InChIInChI=1S/C36H18N6O.Pt/c1-3-9-29-27(7-1)39-35-25-19-21(13-15-23(25)33-31(41(29)35)11-5-17-37-33)43-22-14-16-24-26(20-22)36-40-28-8-2-4-10-30(28)42(36)32-12-6-18-38-34(24)32;/h1-18H;/q-2;+2
InChIKeyRDUDWJSPASGVGY-UHFFFAOYSA-N
MW745.66 g/mol
LogP8.08
Rot. Bonds2

About CID 153428963

CID 153428963 (PubChem CID 153428963) has the molecular formula C36H18N6OPt and a molecular weight of 745.66 g/mol.

Molecular Properties

Compound NameCID 153428963
PubChem CID153428963
Molecular FormulaC36H18N6OPt
Molecular Weight745.66 g/mol
Exact Mass745.12
IUPAC Name—
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ncccc2n2c4ccccc4nc32)ccc2c1c1nc3ccccc3n1c1cccnc21
InChIInChI=1S/C36H18N6O.Pt/c1-3-9-29-27(7-1)39-35-25-19-21(13-15-23(25)33-31(41(29)35)11-5-17-37-33)43-22-14-16-24-26(20-22)36-40-28-8-2-4-10-30(28)42(36)32-12-6-18-38-34(24)32;/h1-18H;/q-2;+2
InChIKeyRDUDWJSPASGVGY-UHFFFAOYSA-N
XLogP8.08
TPSA69.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.66
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze CID 153428963 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 153428963?
The IUPAC name of CID 153428963 (CID 153428963) is not available.
What is the SMILES notation for CID 153428963?
The canonical SMILES for CID 153428963 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ncccc2n2c4ccccc4nc32)ccc2c1c1nc3ccccc3n1c1cccnc21.
What is the InChIKey of CID 153428963?
The InChIKey is RDUDWJSPASGVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H18N6O.Pt/c1-3-9-29-27(7-1)39-35-25-19-21(13-15-23(25)33-31(41(29)35)11-5-17-37-33)43-22-14-16-24-26(20-22)36-40-28-8-2-4-10-30(28)42(36)32-12-6-18-38-34(24)32;/h1-18H;/q-2;+2.
What are the key properties of CID 153428963?
CID 153428963 has a molecular weight of 745.66 g/mol, XLogP of 8.08, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153428963 is sourced from PubChem (CID 153428963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).