CID 164727521

C₄₈H₃₇N₃O₂Pt — CID 164727521

About CID 164727521

CID 164727521 (PubChem CID 164727521) has the molecular formula C₄₈H₃₇N₃O₂Pt and a molecular weight of 882.92 g/mol.

Molecular Properties

• Compound Name: CID 164727521
• PubChem CID: 164727521
• Molecular Formula: C₄₈H₃₇N₃O₂Pt
• Molecular Weight: 882.92 g/mol
• Exact Mass: 882.25
• IUPAC Name: —
• SMILES: CC(C)(C)c1ccccc1-c1cc(Oc2cccc(-c3[c-]ccc4c3oc3nc5c(cc34)CC3(Cc4ccccc4C3)C5)n2)nc(-c2[c-]cccc2)c1.[Pt+2]
• InChI: InChI=1S/C48H37N3O2.Pt/c1-47(2,3)39-20-10-9-17-35(39)33-24-41(30-13-5-4-6-14-30)50-44(25-33)52-43-22-12-21-40(49-43)37-19-11-18-36-38-23-34-28-48(26-31-15-7-8-16-32(31)27-48)29-42(34)51-46(38)53-45(36)37;/h4-13,15-18,20-25H,26-29H2,1-3H3;/q-2;+2
• InChIKey: MFVQTVHXAXIJIS-UHFFFAOYSA-N
• XLogP: 11.34
• TPSA: 61.04 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.92
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 164727521?

The IUPAC name of CID 164727521 (CID 164727521) is not available.

What is the SMILES notation for CID 164727521?

The canonical SMILES for CID 164727521 is CC(C)(C)c1ccccc1-c1cc(Oc2cccc(-c3[c-]ccc4c3oc3nc5c(cc34)CC3(Cc4ccccc4C3)C5)n2)nc(-c2[c-]cccc2)c1.[Pt+2].

What is the InChIKey of CID 164727521?

The InChIKey is MFVQTVHXAXIJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N3O2.Pt/c1-47(2,3)39-20-10-9-17-35(39)33-24-41(30-13-5-4-6-14-30)50-44(25-33)52-43-22-12-21-40(49-43)37-19-11-18-36-38-23-34-28-48(26-31-15-7-8-16-32(31)27-48)29-42(34)51-46(38)53-45(36)37;/h4-13,15-18,20-25H,26-29H2,1-3H3;/q-2;+2.

What are the key properties of CID 164727521?

CID 164727521 has a molecular weight of 882.92 g/mol, XLogP of 11.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 164727521 is sourced from PubChem (CID 164727521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164727521 — identifiers, structure, computed properties (public domain)

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