CID 159911147

C244H168N16O2Pd4S2Si8 — CID 159911147

IUPAC—
SMILESCn1c(-c2[c-]c([Si](c3ccccc3)(c3ccccc3)c3[c-]c4c(c5c3oc3ccccc35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c([Si](c3ccccc3)(c3ccccc3)c3[c-]c4c(c5c3sc3ccccc35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c([Si](c3ccccc3)(c3ccccc3)c3[c-]c4c(c5oc6ccccc6c35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c([Si](c3ccccc3)(c3ccccc3)c3[c-]c4c(c5sc6ccccc6c35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)ccc2)nc2ccccc21.[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/2C61H42N4OSi2.2C61H42N4SSi2.4Pd/c1-64-51-35-16-15-34-50(51)63-61(64)43-23-22-32-48(41-43)67(44-24-6-2-7-25-44,45-26-8-3-9-27-45)56-42-53-60(58-49-33-14-18-37-54(49)66-59(56)58)68(46-28-10-4-11-29-46,47-30-12-5-13-31-47)55-38-19-17-36-52(55)65(53)57-39-20-21-40-62-57;1-64-51-35-16-15-34-50(51)63-61(64)43-23-22-32-48(41-43)67(44-24-6-2-7-25-44,45-26-8-3-9-27-45)56-42-53-60(59-58(56)49-33-14-18-37-54(49)66-59)68(46-28-10-4-11-29-46,47-30-12-5-13-31-47)55-38-19-17-36-52(55)65(53)57-39-20-21-40-62-57;1-64-51-35-16-15-34-50(51)63-61(64)43-23-22-32-48(41-43)67(44-24-6-2-7-25-44,45-26-8-3-9-27-45)56-42-53-60(58-49-33-14-18-37-54(49)66-59(56)58)68(46-28-10-4-11-29-46,47-30-12-5-13-31-47)55-38-19-17-36-52(55)65(53)57-39-20-21-40-62-57;1-64-51-35-16-15-34-50(51)63-61(64)43-23-22-32-48(41-43)67(44-24-6-2-7-25-44,45-26-8-3-9-27-45)56-42-53-60(59-58(56)49-33-14-18-37-54(49)66-59)68(46-28-10-4-11-29-46,47-30-12-5-13-31-47)55-38-19-17-36-52(55)65(53)57-39-20-21-40-62-57;;;;/h4*2-40H,1H3;;;;/q4*-2;4*+2
InChIKeyRZYJCUGSFKTZAJ-UHFFFAOYSA-N
MW4070.64 g/mol
LogP35.62
Rot. Bonds32

About CID 159911147

CID 159911147 (PubChem CID 159911147) has the molecular formula C244H168N16O2Pd4S2Si8 and a molecular weight of 4070.64 g/mol.

Molecular Properties

Compound NameCID 159911147
PubChem CID159911147
Molecular FormulaC244H168N16O2Pd4S2Si8
Molecular Weight4070.64 g/mol
Exact Mass4064.73
IUPAC Name—
SMILESCn1c(-c2[c-]c([Si](c3ccccc3)(c3ccccc3)c3[c-]c4c(c5c3oc3ccccc35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c([Si](c3ccccc3)(c3ccccc3)c3[c-]c4c(c5c3sc3ccccc35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c([Si](c3ccccc3)(c3ccccc3)c3[c-]c4c(c5oc6ccccc6c35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c([Si](c3ccccc3)(c3ccccc3)c3[c-]c4c(c5sc6ccccc6c35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)ccc2)nc2ccccc21.[Pd+2].[Pd+2].[Pd+2].[Pd+2]
InChIInChI=1S/2C61H42N4OSi2.2C61H42N4SSi2.4Pd/c1-64-51-35-16-15-34-50(51)63-61(64)43-23-22-32-48(41-43)67(44-24-6-2-7-25-44,45-26-8-3-9-27-45)56-42-53-60(58-49-33-14-18-37-54(49)66-59(56)58)68(46-28-10-4-11-29-46,47-30-12-5-13-31-47)55-38-19-17-36-52(55)65(53)57-39-20-21-40-62-57;1-64-51-35-16-15-34-50(51)63-61(64)43-23-22-32-48(41-43)67(44-24-6-2-7-25-44,45-26-8-3-9-27-45)56-42-53-60(59-58(56)49-33-14-18-37-54(49)66-59)68(46-28-10-4-11-29-46,47-30-12-5-13-31-47)55-38-19-17-36-52(55)65(53)57-39-20-21-40-62-57;1-64-51-35-16-15-34-50(51)63-61(64)43-23-22-32-48(41-43)67(44-24-6-2-7-25-44,45-26-8-3-9-27-45)56-42-53-60(58-49-33-14-18-37-54(49)66-59(56)58)68(46-28-10-4-11-29-46,47-30-12-5-13-31-47)55-38-19-17-36-52(55)65(53)57-39-20-21-40-62-57;1-64-51-35-16-15-34-50(51)63-61(64)43-23-22-32-48(41-43)67(44-24-6-2-7-25-44,45-26-8-3-9-27-45)56-42-53-60(59-58(56)49-33-14-18-37-54(49)66-59)68(46-28-10-4-11-29-46,47-30-12-5-13-31-47)55-38-19-17-36-52(55)65(53)57-39-20-21-40-62-57;;;;/h4*2-40H,1H3;;;;/q4*-2;4*+2
InChIKeyRZYJCUGSFKTZAJ-UHFFFAOYSA-N
XLogP35.62
TPSA162.08 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004070.64
LogP ≤ 535.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Frequently Asked Questions

What is the IUPAC name of CID 159911147?
The IUPAC name of CID 159911147 (CID 159911147) is not available.
What is the SMILES notation for CID 159911147?
The canonical SMILES for CID 159911147 is Cn1c(-c2[c-]c([Si](c3ccccc3)(c3ccccc3)c3[c-]c4c(c5c3oc3ccccc35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c([Si](c3ccccc3)(c3ccccc3)c3[c-]c4c(c5c3sc3ccccc35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c([Si](c3ccccc3)(c3ccccc3)c3[c-]c4c(c5oc6ccccc6c35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)ccc2)nc2ccccc21.Cn1c(-c2[c-]c([Si](c3ccccc3)(c3ccccc3)c3[c-]c4c(c5sc6ccccc6c35)[Si](c3ccccc3)(c3ccccc3)c3ccccc3N4c3ccccn3)ccc2)nc2ccccc21.[Pd+2].[Pd+2].[Pd+2].[Pd+2].
What is the InChIKey of CID 159911147?
The InChIKey is RZYJCUGSFKTZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H42N4OSi2.2C61H42N4SSi2.4Pd/c1-64-51-35-16-15-34-50(51)63-61(64)43-23-22-32-48(41-43)67(44-24-6-2-7-25-44,45-26-8-3-9-27-45)56-42-53-60(58-49-33-14-18-37-54(49)66-59(56)58)68(46-28-10-4-11-29-46,47-30-12-5-13-31-47)55-38-19-17-36-52(55)65(53)57-39-20-21-40-62-57;1-64-51-35-16-15-34-50(51)63-61(64)43-23-22-32-48(41-43)67(44-24-6-2-7-25-44,45-26-8-3-9-27-45)56-42-53-60(59-58(56)49-33-14-18-37-54(49)66-59)68(46-28-10-4-11-29-46,47-30-12-5-13-31-47)55-38-19-17-36-52(55)65(53)57-39-20-21-40-62-57;1-64-51-35-16-15-34-50(51)63-61(64)43-23-22-32-48(41-43)67(44-24-6-2-7-25-44,45-26-8-3-9-27-45)56-42-53-60(58-49-33-14-18-37-54(49)66-59(56)58)68(46-28-10-4-11-29-46,47-30-12-5-13-31-47)55-38-19-17-36-52(55)65(53)57-39-20-21-40-62-57;1-64-51-35-16-15-34-50(51)63-61(64)43-23-22-32-48(41-43)67(44-24-6-2-7-25-44,45-26-8-3-9-27-45)56-42-53-60(59-58(56)49-33-14-18-37-54(49)66-59)68(46-28-10-4-11-29-46,47-30-12-5-13-31-47)55-38-19-17-36-52(55)65(53)57-39-20-21-40-62-57;;;;/h4*2-40H,1H3;;;;/q4*-2;4*+2.
What are the key properties of CID 159911147?
CID 159911147 has a molecular weight of 4070.64 g/mol, XLogP of 35.62, 32 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159911147 is sourced from PubChem (CID 159911147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).