CID 153428963

C₃₆H₁₈N₆OPt — CID 153428963

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 Name: CID 153428963
• PubChem CID: 153428963
• Molecular Formula: C₃₆H₁₈N₆OPt
• Molecular Weight: 745.66 g/mol
• Exact Mass: 745.12
• IUPAC Name: —
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ncccc2n2c4ccccc4nc32)ccc2c1c1nc3ccccc3n1c1cccnc21
• InChI: 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
• InChIKey: RDUDWJSPASGVGY-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 69.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.66
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

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).

Sources

• PubChem CID 153428963 — identifiers, structure, computed properties (public domain)

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