CID 59645645

C32H25F3N8Pt — CID 59645645

About CID 59645645

CID 59645645 (PubChem CID 59645645) has the molecular formula C32H25F3N8Pt and a molecular weight of 773.68 g/mol.

Molecular Properties

• Compound Name: CID 59645645
• PubChem CID: 59645645
• Molecular Formula: C32H25F3N8Pt
• Molecular Weight: 773.68 g/mol
• Exact Mass: 773.18
• IUPAC Name: —
• SMILES: CC(C)(C)c1n[c-]n(-c2cccc(C(c3ccccc3)(c3ccccc3)c3cccc(-n4[c-]nc(C(F)(F)F)n4)n3)n2)n1.[Pt+2]
• InChI: InChI=1S/C32H25F3N8.Pt/c1-30(2,3)28-36-20-42(40-28)26-18-10-16-24(38-26)31(22-12-6-4-7-13-22,23-14-8-5-9-15-23)25-17-11-19-27(39-25)43-21-37-29(41-43)32(33,34)35;/h4-19H,1-3H3;/q-2;+2
• InChIKey: XEGZCIFATQACAP-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.68
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 59645645?

The IUPAC name of CID 59645645 (CID 59645645) is not available.

What is the SMILES notation for CID 59645645?

The canonical SMILES for CID 59645645 is CC(C)(C)c1n[c-]n(-c2cccc(C(c3ccccc3)(c3ccccc3)c3cccc(-n4[c-]nc(C(F)(F)F)n4)n3)n2)n1.[Pt+2].

What is the InChIKey of CID 59645645?

The InChIKey is XEGZCIFATQACAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F3N8.Pt/c1-30(2,3)28-36-20-42(40-28)26-18-10-16-24(38-26)31(22-12-6-4-7-13-22,23-14-8-5-9-15-23)25-17-11-19-27(39-25)43-21-37-29(41-43)32(33,34)35;/h4-19H,1-3H3;/q-2;+2.

What are the key properties of CID 59645645?

CID 59645645 has a molecular weight of 773.68 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for CID 59645645 is sourced from PubChem (CID 59645645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).