CID 164705387

C34H32N4OPt — CID 164705387

About CID 164705387

CID 164705387 (PubChem CID 164705387) has the molecular formula C34H32N4OPt and a molecular weight of 707.74 g/mol.

Molecular Properties

• Compound Name: CID 164705387
• PubChem CID: 164705387
• Molecular Formula: C34H32N4OPt
• Molecular Weight: 707.74 g/mol
• Exact Mass: 707.22
• IUPAC Name: —
• SMILES: CN1[CH-]N2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)C(C)(C)c6ccccc65)ccc4)ccc3C(C)(C)c3cccc1c32.[Pt+4]
• InChI: InChI=1S/C34H32N4O.Pt/c1-33(2)26-18-17-25(20-31(26)38-21-35(5)30-16-10-14-28(33)32(30)38)39-24-12-9-11-23(19-24)37-22-36(6)34(3,4)27-13-7-8-15-29(27)37;/h7-18,21-22H,1-6H3;/q-4;+4
• InChIKey: ZJBHTMUJMXLNME-UHFFFAOYSA-N
• XLogP: 7.86
• TPSA: 22.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.74
LogP ≤ 5	7.86
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 164705387?

The IUPAC name of CID 164705387 (CID 164705387) is not available.

What is the SMILES notation for CID 164705387?

The canonical SMILES for CID 164705387 is CN1[CH-]N2c3[c-]c(Oc4[c-]c(N5[CH-]N(C)C(C)(C)c6ccccc65)ccc4)ccc3C(C)(C)c3cccc1c32.[Pt+4].

What is the InChIKey of CID 164705387?

The InChIKey is ZJBHTMUJMXLNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O.Pt/c1-33(2)26-18-17-25(20-31(26)38-21-35(5)30-16-10-14-28(33)32(30)38)39-24-12-9-11-23(19-24)37-22-36(6)34(3,4)27-13-7-8-15-29(27)37;/h7-18,21-22H,1-6H3;/q-4;+4.

What are the key properties of CID 164705387?

CID 164705387 has a molecular weight of 707.74 g/mol, XLogP of 7.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 164705387 is sourced from PubChem (CID 164705387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).