CID 161039446

C302H205N17O2Pd5SSi10 — CID 161039446

About CID 161039446

CID 161039446 (PubChem CID 161039446) has the molecular formula C302H205N17O2Pd5SSi10 and a molecular weight of 4949.11 g/mol.

Molecular Properties

• Compound Name: CID 161039446
• PubChem CID: 161039446
• Molecular Formula: C302H205N17O2Pd5SSi10
• Molecular Weight: 4949.11 g/mol
• Exact Mass: 4941.90
• IUPAC Name: —
• SMILES: [Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)[Si](c1ccccc1)(c1ccccc1)c1cc3c(cc1N2c1ccccn1)c1ccccc1n3-c1ccccc1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)[Si](c1ccccc1)(c1ccccc1)c1cc3c(cc1N2c1ccccn1)oc1ccccc13)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)[Si](c1ccccc1)(c1ccccc1)c1cc3c(cc1N2c1ccccn1)sc1ccccc13)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)[Si](c1ccccc1)(c1ccccc1)c1cc3c4ccccc4n(-c4ccccc4)c3cc1N2c1ccccn1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)[Si](c1ccccc1)(c1ccccc1)c1cc3oc4ccccc4c3cc1N2c1ccccn1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/2C64H44N4Si2.2C58H39N3OSi2.C58H39N3SSi2.5Pd/c1-6-24-48(25-7-1)67-58-37-17-16-35-55(58)56-45-63-61(46-59(56)67)68(64-38-19-21-42-66-64)60-44-54(39-40-62(60)70(63,51-30-12-4-13-31-51)52-32-14-5-15-33-52)69(49-26-8-2-9-27-49,50-28-10-3-11-29-50)53-34-22-23-47(43-53)57-36-18-20-41-65-57;1-6-24-48(25-7-1)67-58-37-17-16-35-55(58)56-45-61-63(46-59(56)67)70(51-30-12-4-13-31-51,52-32-14-5-15-33-52)62-40-39-54(44-60(62)68(61)64-38-19-21-42-66-64)69(49-26-8-2-9-27-49,50-28-10-3-11-29-50)53-34-22-23-47(43-53)57-36-18-20-41-65-57;1-5-21-43(22-6-1)63(44-23-7-2-8-24-44,47-29-19-20-42(38-47)51-31-15-17-36-59-51)48-34-35-56-52(39-48)61(58-33-16-18-37-60-58)53-41-55-50(49-30-13-14-32-54(49)62-55)40-57(53)64(56,45-25-9-3-10-26-45)46-27-11-4-12-28-46;1-5-21-43(22-6-1)63(44-23-7-2-8-24-44,47-29-19-20-42(38-47)51-31-15-17-36-59-51)48-34-35-56-52(39-48)61(58-33-16-18-37-60-58)53-40-50-49-30-13-14-32-54(49)62-55(50)41-57(53)64(56,45-25-9-3-10-26-45)46-27-11-4-12-28-46;1-5-21-43(22-6-1)63(44-23-7-2-8-24-44,47-29-19-20-42(38-47)51-31-15-17-36-59-51)48-34-35-56-52(39-48)61(58-33-16-18-37-60-58)53-41-55-50(49-30-13-14-32-54(49)62-55)40-57(53)64(56,45-25-9-3-10-26-45)46-27-11-4-12-28-46;;;;;/h2*1-42,45-46H;3*1-37,40-41H;;;;;/q5*-2;5*+2
• InChIKey: CDDGAOLJVVEBCR-UHFFFAOYSA-N
• XLogP: 43.76
• TPSA: 181.24 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 42
• Heavy Atoms: 337
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4949.11
LogP ≤ 5	43.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of CID 161039446?

The IUPAC name of CID 161039446 (CID 161039446) is not available.

What is the SMILES notation for CID 161039446?

The canonical SMILES for CID 161039446 is [Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)[Si](c1ccccc1)(c1ccccc1)c1cc3c(cc1N2c1ccccn1)c1ccccc1n3-c1ccccc1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)[Si](c1ccccc1)(c1ccccc1)c1cc3c(cc1N2c1ccccn1)oc1ccccc13)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)[Si](c1ccccc1)(c1ccccc1)c1cc3c(cc1N2c1ccccn1)sc1ccccc13)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)[Si](c1ccccc1)(c1ccccc1)c1cc3c4ccccc4n(-c4ccccc4)c3cc1N2c1ccccn1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)[Si](c1ccccc1)(c1ccccc1)c1cc3oc4ccccc4c3cc1N2c1ccccn1)(c1ccccc1)c1ccccc1.

What is the InChIKey of CID 161039446?

The InChIKey is CDDGAOLJVVEBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C64H44N4Si2.2C58H39N3OSi2.C58H39N3SSi2.5Pd/c1-6-24-48(25-7-1)67-58-37-17-16-35-55(58)56-45-63-61(46-59(56)67)68(64-38-19-21-42-66-64)60-44-54(39-40-62(60)70(63,51-30-12-4-13-31-51)52-32-14-5-15-33-52)69(49-26-8-2-9-27-49,50-28-10-3-11-29-50)53-34-22-23-47(43-53)57-36-18-20-41-65-57;1-6-24-48(25-7-1)67-58-37-17-16-35-55(58)56-45-61-63(46-59(56)67)70(51-30-12-4-13-31-51,52-32-14-5-15-33-52)62-40-39-54(44-60(62)68(61)64-38-19-21-42-66-64)69(49-26-8-2-9-27-49,50-28-10-3-11-29-50)53-34-22-23-47(43-53)57-36-18-20-41-65-57;1-5-21-43(22-6-1)63(44-23-7-2-8-24-44,47-29-19-20-42(38-47)51-31-15-17-36-59-51)48-34-35-56-52(39-48)61(58-33-16-18-37-60-58)53-41-55-50(49-30-13-14-32-54(49)62-55)40-57(53)64(56,45-25-9-3-10-26-45)46-27-11-4-12-28-46;1-5-21-43(22-6-1)63(44-23-7-2-8-24-44,47-29-19-20-42(38-47)51-31-15-17-36-59-51)48-34-35-56-52(39-48)61(58-33-16-18-37-60-58)53-40-50-49-30-13-14-32-54(49)62-55(50)41-57(53)64(56,45-25-9-3-10-26-45)46-27-11-4-12-28-46;1-5-21-43(22-6-1)63(44-23-7-2-8-24-44,47-29-19-20-42(38-47)51-31-15-17-36-59-51)48-34-35-56-52(39-48)61(58-33-16-18-37-60-58)53-41-55-50(49-30-13-14-32-54(49)62-55)40-57(53)64(56,45-25-9-3-10-26-45)46-27-11-4-12-28-46;;;;;/h2*1-42,45-46H;3*1-37,40-41H;;;;;/q5*-2;5*+2.

What are the key properties of CID 161039446?

CID 161039446 has a molecular weight of 4949.11 g/mol, XLogP of 43.76, 42 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for CID 161039446 is sourced from PubChem (CID 161039446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).