CID 170930546

C55H34N4OPt-2 — CID 170930546

About CID 170930546

CID 170930546 (PubChem CID 170930546) has the molecular formula C55H34N4OPt-2 and a molecular weight of 965.00 g/mol.

Molecular Properties

• Compound Name: CID 170930546
• PubChem CID: 170930546
• Molecular Formula: C55H34N4OPt-2
• Molecular Weight: 965.00 g/mol
• Exact Mass: 964.26
• IUPAC Name: —
• SMILES: [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c2ccccc2c2cccc3c4ccccc4c4ccccc4c4cccc1c4c32.[Pt]
• InChI: InChI=1S/C55H34N4O.Pt/c1-57-35-58(36-15-12-16-37(33-36)60-38-30-31-45-43-21-7-9-27-50(43)59(52(45)34-38)53-29-10-11-32-56-53)49-26-8-6-22-44(49)48-24-13-23-46-41-19-4-2-17-39(41)40-18-3-5-20-42(40)47-25-14-28-51(57)55(47)54(46)48;/h2-32H,1H3;/q-2;/b40-39-,46-41-,47-42-,55-54-;/i1D3
• InChIKey: DOGGXYDLHMLXDY-TYWYRRMBSA-N
• XLogP: 13.03
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.00
LogP ≤ 5	13.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 170930546?

The IUPAC name of CID 170930546 (CID 170930546) is not available.

What is the SMILES notation for CID 170930546?

The canonical SMILES for CID 170930546 is [2H]C([2H])([2H])[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)c2ccccc2c2cccc3c4ccccc4c4ccccc4c4cccc1c4c32.[Pt].

What is the InChIKey of CID 170930546?

The InChIKey is DOGGXYDLHMLXDY-TYWYRRMBSA-N. The full InChI is InChI=1S/C55H34N4O.Pt/c1-57-35-58(36-15-12-16-37(33-36)60-38-30-31-45-43-21-7-9-27-50(43)59(52(45)34-38)53-29-10-11-32-56-53)49-26-8-6-22-44(49)48-24-13-23-46-41-19-4-2-17-39(41)40-18-3-5-20-42(40)47-25-14-28-51(57)55(47)54(46)48;/h2-32H,1H3;/q-2;/b40-39-,46-41-,47-42-,55-54-;/i1D3;.

What are the key properties of CID 170930546?

CID 170930546 has a molecular weight of 965.00 g/mol, XLogP of 13.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for CID 170930546 is sourced from PubChem (CID 170930546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).