CID 162461474

C50H30N4OPtSSi — CID 162461474

About CID 162461474

CID 162461474 (PubChem CID 162461474) has the molecular formula C50H30N4OPtSSi and a molecular weight of 958.05 g/mol.

Molecular Properties

• Compound Name: CID 162461474
• PubChem CID: 162461474
• Molecular Formula: C50H30N4OPtSSi
• Molecular Weight: 958.05 g/mol
• Exact Mass: 957.16
• IUPAC Name: —
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)ccc2c1N(c1ccccn1)c1ccc3c(sc4ccccc43)c1[Si]2(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C50H30N4OSSi.Pt/c1-3-13-35(14-4-1)57(36-15-5-2-6-16-36)46-27-23-34(55-33-22-24-37-38-17-7-9-19-42(38)53-30-29-52-50(53)41(37)31-33)32-44(46)54(47-21-11-12-28-51-47)43-26-25-40-39-18-8-10-20-45(39)56-48(40)49(43)57;/h1-30H;/q-2;+2
• InChIKey: FXBWFKXIJVWBMD-UHFFFAOYSA-N
• XLogP: 9.95
• TPSA: 42.66 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	958.05
LogP ≤ 5	9.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 162461474?

The IUPAC name of CID 162461474 (CID 162461474) is not available.

What is the SMILES notation for CID 162461474?

The canonical SMILES for CID 162461474 is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n2ccnc32)ccc2c1N(c1ccccn1)c1ccc3c(sc4ccccc43)c1[Si]2(c1ccccc1)c1ccccc1.

What is the InChIKey of CID 162461474?

The InChIKey is FXBWFKXIJVWBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4OSSi.Pt/c1-3-13-35(14-4-1)57(36-15-5-2-6-16-36)46-27-23-34(55-33-22-24-37-38-17-7-9-19-42(38)53-30-29-52-50(53)41(37)31-33)32-44(46)54(47-21-11-12-28-51-47)43-26-25-40-39-18-8-10-20-45(39)56-48(40)49(43)57;/h1-30H;/q-2;+2.

What are the key properties of CID 162461474?

CID 162461474 has a molecular weight of 958.05 g/mol, XLogP of 9.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 162461474 is sourced from PubChem (CID 162461474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).