CID 162461464

C62H40N4PtSSi2 — CID 162461464

About CID 162461464

CID 162461464 (PubChem CID 162461464) has the molecular formula C62H40N4PtSSi2 and a molecular weight of 1124.35 g/mol.

Molecular Properties

• Compound Name: CID 162461464
• PubChem CID: 162461464
• Molecular Formula: C62H40N4PtSSi2
• Molecular Weight: 1124.35 g/mol
• Exact Mass: 1123.22
• IUPAC Name: —
• SMILES: [Pt+2].[c-]1c([Si](c2[c-]c3c(cc2)c2ccccc2n2ccnc32)(c2ccccc2)c2ccccc2)ccc2c1N(c1ccccn1)c1ccc3c(sc4ccccc43)c1[Si]2(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C62H40N4SSi2.Pt/c1-5-19-43(20-6-1)68(44-21-7-2-8-22-44,47-32-34-49-50-27-13-15-29-54(50)65-40-39-64-62(65)53(49)41-47)48-33-37-58-56(42-48)66(59-31-17-18-38-63-59)55-36-35-52-51-28-14-16-30-57(51)67-60(52)61(55)69(58,45-23-9-3-10-24-45)46-25-11-4-12-26-46;/h1-40H;/q-2;+2
• InChIKey: ILSRWIFLFDDRFQ-UHFFFAOYSA-N
• XLogP: 9.54
• TPSA: 33.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1124.35
LogP ≤ 5	9.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 162461464?

The IUPAC name of CID 162461464 (CID 162461464) is not available.

What is the SMILES notation for CID 162461464?

The canonical SMILES for CID 162461464 is [Pt+2].[c-]1c([Si](c2[c-]c3c(cc2)c2ccccc2n2ccnc32)(c2ccccc2)c2ccccc2)ccc2c1N(c1ccccn1)c1ccc3c(sc4ccccc43)c1[Si]2(c1ccccc1)c1ccccc1.

What is the InChIKey of CID 162461464?

The InChIKey is ILSRWIFLFDDRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N4SSi2.Pt/c1-5-19-43(20-6-1)68(44-21-7-2-8-22-44,47-32-34-49-50-27-13-15-29-54(50)65-40-39-64-62(65)53(49)41-47)48-33-37-58-56(42-48)66(59-31-17-18-38-63-59)55-36-35-52-51-28-14-16-30-57(51)67-60(52)61(55)69(58,45-23-9-3-10-24-45)46-25-11-4-12-26-46;/h1-40H;/q-2;+2.

What are the key properties of CID 162461464?

CID 162461464 has a molecular weight of 1124.35 g/mol, XLogP of 9.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CID 162461464 is sourced from PubChem (CID 162461464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).