CID 164788709

C58H41N4O2Pt-3 — CID 164788709

About CID 164788709

CID 164788709 (PubChem CID 164788709) has the molecular formula C58H41N4O2Pt-3 and a molecular weight of 1030.12 g/mol.

Molecular Properties

• Compound Name: CID 164788709
• PubChem CID: 164788709
• Molecular Formula: C58H41N4O2Pt-3
• Molecular Weight: 1030.12 g/mol
• Exact Mass: 1029.35
• IUPAC Name: —
• SMILES: [2H]c1cc(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(c6ccccc6n5-c5cc(C(C)(C)C)ccn5)c5c4oc4ccccc45)ccc3)c3ccccc32)c([2H])c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C58H41N4O2.Pt/c1-58(2,3)40-32-33-59-53(34-40)62-47-28-12-10-24-45(47)54-50(62)36-52(57-55(54)46-25-11-15-31-51(46)64-57)63-42-23-16-22-41(35-42)60-37-61(49-30-14-13-29-48(49)60)56-43(38-18-6-4-7-19-38)26-17-27-44(56)39-20-8-5-9-21-39;/h4-34,37H,1-3H3;/q-3;/i4D,5D,6D,7D,8D,9D,18D,19D,20D
• InChIKey: UAKMMPGAIMSIMG-KMAHFMHQSA-N
• XLogP: 15.51
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1030.12
LogP ≤ 5	15.51
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 164788709?

The IUPAC name of CID 164788709 (CID 164788709) is not available.

What is the SMILES notation for CID 164788709?

The canonical SMILES for CID 164788709 is [2H]c1cc(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(c6ccccc6n5-c5cc(C(C)(C)C)ccn5)c5c4oc4ccccc45)ccc3)c3ccccc32)c([2H])c([2H])c1[2H].[Pt].

What is the InChIKey of CID 164788709?

The InChIKey is UAKMMPGAIMSIMG-KMAHFMHQSA-N. The full InChI is InChI=1S/C58H41N4O2.Pt/c1-58(2,3)40-32-33-59-53(34-40)62-47-28-12-10-24-45(47)54-50(62)36-52(57-55(54)46-25-11-15-31-51(46)64-57)63-42-23-16-22-41(35-42)60-37-61(49-30-14-13-29-48(49)60)56-43(38-18-6-4-7-19-38)26-17-27-44(56)39-20-8-5-9-21-39;/h4-34,37H,1-3H3;/q-3;/i4D,5D,6D,7D,8D,9D,18D,19D,20D;.

What are the key properties of CID 164788709?

CID 164788709 has a molecular weight of 1030.12 g/mol, XLogP of 15.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 164788709 is sourced from PubChem (CID 164788709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).