CID 176782168

C35H19N5OPtS — CID 176782168

About CID 176782168

CID 176782168 (PubChem CID 176782168) has the molecular formula C35H19N5OPtS and a molecular weight of 752.72 g/mol.

Molecular Properties

• Compound Name: CID 176782168
• PubChem CID: 176782168
• Molecular Formula: C35H19N5OPtS
• Molecular Weight: 752.72 g/mol
• Exact Mass: 752.10
• IUPAC Name: —
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2ccnc32)cccc1-n1ccc(-c2ccc3sc4ccccc4c3c2)n1
• InChI: InChI=1S/C35H19N5OS.Pt/c1-2-9-32-27(7-1)29-19-22(10-13-33(29)42-32)31-14-17-40(38-31)23-5-3-6-24(20-23)41-25-11-12-26-28-8-4-15-36-34(28)39-18-16-37-35(39)30(26)21-25;/h1-19H;/q-2;+2
• InChIKey: MLHHQOVXBAHOMQ-UHFFFAOYSA-N
• XLogP: 8.65
• TPSA: 57.24 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.72
LogP ≤ 5	8.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 176782168?

The IUPAC name of CID 176782168 (CID 176782168) is not available.

What is the SMILES notation for CID 176782168?

The canonical SMILES for CID 176782168 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cccnc2n2ccnc32)cccc1-n1ccc(-c2ccc3sc4ccccc4c3c2)n1.

What is the InChIKey of CID 176782168?

The InChIKey is MLHHQOVXBAHOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19N5OS.Pt/c1-2-9-32-27(7-1)29-19-22(10-13-33(29)42-32)31-14-17-40(38-31)23-5-3-6-24(20-23)41-25-11-12-26-28-8-4-15-36-34(28)39-18-16-37-35(39)30(26)21-25;/h1-19H;/q-2;+2.

What are the key properties of CID 176782168?

CID 176782168 has a molecular weight of 752.72 g/mol, XLogP of 8.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for CID 176782168 is sourced from PubChem (CID 176782168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).