CID 164705419

C26H25N5OPt — CID 164705419

About CID 164705419

CID 164705419 (PubChem CID 164705419) has the molecular formula C26H25N5OPt and a molecular weight of 618.60 g/mol.

Molecular Properties

• Compound Name: CID 164705419
• PubChem CID: 164705419
• Molecular Formula: C26H25N5OPt
• Molecular Weight: 618.60 g/mol
• Exact Mass: 618.17
• IUPAC Name: —
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c(N4[CH-]N(C)C(C)(C)c5ccccc54)ccc3)ccc2)C=N1.[Pt+4]
• InChI: InChI=1S/C26H25N5O.Pt/c1-26(2)24-13-5-6-14-25(24)31(18-28(26)3)21-10-8-12-23(16-21)32-22-11-7-9-20(15-22)30-17-27-29(4)19-30;/h5-14,17-19H,1-4H3;/q-4;+4
• InChIKey: REQLINSPCMIZOR-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 34.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.60
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 164705419?

The IUPAC name of CID 164705419 (CID 164705419) is not available.

What is the SMILES notation for CID 164705419?

The canonical SMILES for CID 164705419 is CN1[CH-]N(c2[c-]c(Oc3[c-]c(N4[CH-]N(C)C(C)(C)c5ccccc54)ccc3)ccc2)C=N1.[Pt+4].

What is the InChIKey of CID 164705419?

The InChIKey is REQLINSPCMIZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O.Pt/c1-26(2)24-13-5-6-14-25(24)31(18-28(26)3)21-10-8-12-23(16-21)32-22-11-7-9-20(15-22)30-17-27-29(4)19-30;/h5-14,17-19H,1-4H3;/q-4;+4.

What are the key properties of CID 164705419?

CID 164705419 has a molecular weight of 618.60 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 164705419 is sourced from PubChem (CID 164705419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).