CID 160577640

C243H156FN17O2Pd5SSi5 — CID 160577640

About CID 160577640

CID 160577640 (PubChem CID 160577640) has the molecular formula C243H156FN17O2Pd5SSi5 and a molecular weight of 4069.63 g/mol.

Molecular Properties

• Compound Name: CID 160577640
• PubChem CID: 160577640
• Molecular Formula: C243H156FN17O2Pd5SSi5
• Molecular Weight: 4069.63 g/mol
• Exact Mass: 4063.64
• IUPAC Name: —
• SMILES: FC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c2c(cc1)[Si](c1ccccc1)(c1ccccc1)c1cc3sc4ccccc4c3cc1N2c1ccccn1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1cc3c(cc1n2-c1ccccn1)c1ccccc1n3-c1ccccc1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1cc3c(cc1n2-c1ccccn1)oc1ccccc13)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1cc3c4ccccc4n(-c4ccccc4)c3cc1n2-c1ccccn1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1cc3oc4ccccc4c3cc1n2-c1ccccn1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/2C52H34N4Si.C47H30FN3SSi.2C46H29N3OSi.5Pd/c1-4-18-38(19-5-1)55-48-27-11-10-25-43(48)45-36-51-46(35-50(45)55)44-30-29-42(34-49(44)56(51)52-28-13-15-32-54-52)57(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-17-37(33-41)47-26-12-14-31-53-47;1-4-18-38(19-5-1)55-48-27-11-10-25-43(48)45-35-46-44-30-29-42(34-49(44)56(51(46)36-50(45)55)52-28-13-15-32-54-52)57(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-17-37(33-41)47-26-12-14-31-53-47;48-47(33-15-13-14-32(28-33)39-21-9-11-26-49-39)34-24-25-44-40(29-34)51(46-23-10-12-27-50-46)41-30-38-37-20-7-8-22-42(37)52-43(38)31-45(41)53(44,35-16-3-1-4-17-35)36-18-5-2-6-19-36;1-3-15-33(16-4-1)51(34-17-5-2-6-18-34,35-19-13-14-32(28-35)41-21-9-11-26-47-41)36-24-25-37-39-31-45-40(38-20-7-8-22-44(38)50-45)30-43(39)49(42(37)29-36)46-23-10-12-27-48-46;1-3-15-33(16-4-1)51(34-17-5-2-6-18-34,35-19-13-14-32(28-35)41-21-9-11-26-47-41)36-24-25-37-39-30-40-38-20-7-8-22-44(38)50-45(40)31-43(39)49(42(37)29-36)46-23-10-12-27-48-46;;;;;/h2*1-32,35-36H;1-27,30-31,47H;2*1-27,30-31H;;;;;/q5*-2;5*+2
• InChIKey: ONRTURYMZKJARB-UHFFFAOYSA-N
• XLogP: 44.19
• TPSA: 188.00 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 274
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4069.63
LogP ≤ 5	44.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of CID 160577640?

The IUPAC name of CID 160577640 (CID 160577640) is not available.

What is the SMILES notation for CID 160577640?

The canonical SMILES for CID 160577640 is FC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c2c(cc1)[Si](c1ccccc1)(c1ccccc1)c1cc3sc4ccccc4c3cc1N2c1ccccn1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1cc3c(cc1n2-c1ccccn1)c1ccccc1n3-c1ccccc1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1cc3c(cc1n2-c1ccccn1)oc1ccccc13)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1cc3c4ccccc4n(-c4ccccc4)c3cc1n2-c1ccccn1)(c1ccccc1)c1ccccc1.[c-]1c(-c2ccccn2)cccc1[Si](c1[c-]c2c(cc1)c1cc3oc4ccccc4c3cc1n2-c1ccccn1)(c1ccccc1)c1ccccc1.

What is the InChIKey of CID 160577640?

The InChIKey is ONRTURYMZKJARB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H34N4Si.C47H30FN3SSi.2C46H29N3OSi.5Pd/c1-4-18-38(19-5-1)55-48-27-11-10-25-43(48)45-36-51-46(35-50(45)55)44-30-29-42(34-49(44)56(51)52-28-13-15-32-54-52)57(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-17-37(33-41)47-26-12-14-31-53-47;1-4-18-38(19-5-1)55-48-27-11-10-25-43(48)45-35-46-44-30-29-42(34-49(44)56(51(46)36-50(45)55)52-28-13-15-32-54-52)57(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-24-16-17-37(33-41)47-26-12-14-31-53-47;48-47(33-15-13-14-32(28-33)39-21-9-11-26-49-39)34-24-25-44-40(29-34)51(46-23-10-12-27-50-46)41-30-38-37-20-7-8-22-42(37)52-43(38)31-45(41)53(44,35-16-3-1-4-17-35)36-18-5-2-6-19-36;1-3-15-33(16-4-1)51(34-17-5-2-6-18-34,35-19-13-14-32(28-35)41-21-9-11-26-47-41)36-24-25-37-39-31-45-40(38-20-7-8-22-44(38)50-45)30-43(39)49(42(37)29-36)46-23-10-12-27-48-46;1-3-15-33(16-4-1)51(34-17-5-2-6-18-34,35-19-13-14-32(28-35)41-21-9-11-26-47-41)36-24-25-37-39-30-40-38-20-7-8-22-44(38)50-45(40)31-43(39)49(42(37)29-36)46-23-10-12-27-48-46;;;;;/h2*1-32,35-36H;1-27,30-31,47H;2*1-27,30-31H;;;;;/q5*-2;5*+2.

What are the key properties of CID 160577640?

CID 160577640 has a molecular weight of 4069.63 g/mol, XLogP of 44.19, 32 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for CID 160577640 is sourced from PubChem (CID 160577640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).