CID 163513488

C184H116N12O2Pd4S2Si4 — CID 163513488

About CID 163513488

CID 163513488 (PubChem CID 163513488) has the molecular formula C184H116N12O2Pd4S2Si4 and a molecular weight of 3129.19 g/mol.

Molecular Properties

• Compound Name: CID 163513488
• PubChem CID: 163513488
• Molecular Formula: C184H116N12O2Pd4S2Si4
• Molecular Weight: 3129.19 g/mol
• Exact Mass: 3124.40
• IUPAC Name: —
• SMILES: [Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(-c2ccccn2)cccc1[Si](c1ccccc1)(c1ccccc1)c1[c-]c2c(c3ccccc3n2-c2ccccn2)c2c1oc1ccccc12.[c-]1c(-c2ccccn2)cccc1[Si](c1ccccc1)(c1ccccc1)c1[c-]c2c(c3ccccc3n2-c2ccccn2)c2c1sc1ccccc12.[c-]1c(-c2ccccn2)cccc1[Si](c1ccccc1)(c1ccccc1)c1[c-]c2c(c3ccccc3n2-c2ccccn2)c2oc3ccccc3c12.[c-]1c(-c2ccccn2)cccc1[Si](c1ccccc1)(c1ccccc1)c1[c-]c2c(c3ccccc3n2-c2ccccn2)c2sc3ccccc3c12
• InChI: InChI=1S/2C46H29N3OSi.2C46H29N3SSi.4Pd/c1-3-17-33(18-4-1)51(34-19-5-2-6-20-34,35-21-15-16-32(30-35)38-24-11-13-28-47-38)42-31-40-44(45-37-23-8-10-26-41(37)50-46(42)45)36-22-7-9-25-39(36)49(40)43-27-12-14-29-48-43;1-3-17-33(18-4-1)51(34-19-5-2-6-20-34,35-21-15-16-32(30-35)38-24-11-13-28-47-38)42-31-40-44(46-45(42)37-23-8-10-26-41(37)50-46)36-22-7-9-25-39(36)49(40)43-27-12-14-29-48-43;1-3-17-33(18-4-1)51(34-19-5-2-6-20-34,35-21-15-16-32(30-35)38-24-11-13-28-47-38)42-31-40-44(45-37-23-8-10-26-41(37)50-46(42)45)36-22-7-9-25-39(36)49(40)43-27-12-14-29-48-43;1-3-17-33(18-4-1)51(34-19-5-2-6-20-34,35-21-15-16-32(30-35)38-24-11-13-28-47-38)42-31-40-44(46-45(42)37-23-8-10-26-41(37)50-46)36-22-7-9-25-39(36)49(40)43-27-12-14-29-48-43;;;;/h4*1-29H;;;;/q4*-2;4*+2
• InChIKey: UVXILBTWOWCGST-UHFFFAOYSA-N
• XLogP: 33.40
• TPSA: 149.12 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3129.19
LogP ≤ 5	33.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 163513488?

The IUPAC name of CID 163513488 (CID 163513488) is not available.

What is the SMILES notation for CID 163513488?

The canonical SMILES for CID 163513488 is [Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(-c2ccccn2)cccc1[Si](c1ccccc1)(c1ccccc1)c1[c-]c2c(c3ccccc3n2-c2ccccn2)c2c1oc1ccccc12.[c-]1c(-c2ccccn2)cccc1[Si](c1ccccc1)(c1ccccc1)c1[c-]c2c(c3ccccc3n2-c2ccccn2)c2c1sc1ccccc12.[c-]1c(-c2ccccn2)cccc1[Si](c1ccccc1)(c1ccccc1)c1[c-]c2c(c3ccccc3n2-c2ccccn2)c2oc3ccccc3c12.[c-]1c(-c2ccccn2)cccc1[Si](c1ccccc1)(c1ccccc1)c1[c-]c2c(c3ccccc3n2-c2ccccn2)c2sc3ccccc3c12.

What is the InChIKey of CID 163513488?

The InChIKey is UVXILBTWOWCGST-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H29N3OSi.2C46H29N3SSi.4Pd/c1-3-17-33(18-4-1)51(34-19-5-2-6-20-34,35-21-15-16-32(30-35)38-24-11-13-28-47-38)42-31-40-44(45-37-23-8-10-26-41(37)50-46(42)45)36-22-7-9-25-39(36)49(40)43-27-12-14-29-48-43;1-3-17-33(18-4-1)51(34-19-5-2-6-20-34,35-21-15-16-32(30-35)38-24-11-13-28-47-38)42-31-40-44(46-45(42)37-23-8-10-26-41(37)50-46)36-22-7-9-25-39(36)49(40)43-27-12-14-29-48-43;1-3-17-33(18-4-1)51(34-19-5-2-6-20-34,35-21-15-16-32(30-35)38-24-11-13-28-47-38)42-31-40-44(45-37-23-8-10-26-41(37)50-46(42)45)36-22-7-9-25-39(36)49(40)43-27-12-14-29-48-43;1-3-17-33(18-4-1)51(34-19-5-2-6-20-34,35-21-15-16-32(30-35)38-24-11-13-28-47-38)42-31-40-44(46-45(42)37-23-8-10-26-41(37)50-46)36-22-7-9-25-39(36)49(40)43-27-12-14-29-48-43;;;;/h4*1-29H;;;;/q4*-2;4*+2.

What are the key properties of CID 163513488?

CID 163513488 has a molecular weight of 3129.19 g/mol, XLogP of 33.40, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for CID 163513488 is sourced from PubChem (CID 163513488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).