CID 159953158

C136H92Cu3N11O6SSi3 — CID 159953158

About CID 159953158

CID 159953158 (PubChem CID 159953158) has the molecular formula C136H92Cu3N11O6SSi3 and a molecular weight of 2283.27 g/mol.

Molecular Properties

• Compound Name: CID 159953158
• PubChem CID: 159953158
• Molecular Formula: C136H92Cu3N11O6SSi3
• Molecular Weight: 2283.27 g/mol
• Exact Mass: 2279.41
• IUPAC Name: —
• SMILES: Cc1[c-]n(-c2coc3oc(N(c4ccccc4)c4nc5c(ccc6c7ccccc7n([Si](c7ccccc7)c7ccccc7)c65)n4C)[c-]c23)c(C)c1.Cn1c[c-]c(-c2csc3cc4c5ccccc5n(-c5[c-]c6c7c(oc6o5)C(C)(C)c5ccccc5C7(C)[Si](c5ccccc5)c5ccccc5)c4nc23)c1.[Cu+2].[Cu+2].[Cu+2].[c-]1coc2cccc(-c3ccc4c5ccccc5n(-c5[c-]c6c(ccc7c8ccccc8n([Si](c8ccccc8)c8ccccc8)c67)o5)c4n3)c12
• InChI: InChI=1S/C47H34N3O2SSi.C45H26N3O2Si.C44H32N5O2Si.3Cu/c1-46(2)36-20-12-13-21-37(36)47(3,54(30-15-7-5-8-16-30)31-17-9-6-10-18-31)41-34-26-40(51-45(34)52-43(41)46)50-38-22-14-11-19-32(38)33-25-39-42(48-44(33)50)35(28-53-39)29-23-24-49(4)27-29;1-3-12-29(13-4-1)51(30-14-5-2-6-15-30)48-40-20-10-8-16-32(40)35-23-25-42-37(44(35)48)28-43(50-42)47-39-19-9-7-17-33(39)36-22-24-38(46-45(36)47)31-18-11-21-41-34(31)26-27-49-41;1-29-25-30(2)47(27-29)39-28-50-43-36(39)26-40(51-43)48(31-15-7-4-8-16-31)44-45-41-38(46(44)3)24-23-35-34-21-13-14-22-37(34)49(42(35)41)52(32-17-9-5-10-18-32)33-19-11-6-12-20-33;;;/h5-22,24-25,27-28H,1-4H3;1-25,27H;4-25,28H,1-3H3;;;/q3*-2;3*+2
• InChIKey: GHOAFQQGIUIJSH-UHFFFAOYSA-N
• XLogP: 28.98
• TPSA: 155.26 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2283.27
LogP ≤ 5	28.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 159953158?

The IUPAC name of CID 159953158 (CID 159953158) is not available.

What is the SMILES notation for CID 159953158?

The canonical SMILES for CID 159953158 is Cc1[c-]n(-c2coc3oc(N(c4ccccc4)c4nc5c(ccc6c7ccccc7n([Si](c7ccccc7)c7ccccc7)c65)n4C)[c-]c23)c(C)c1.Cn1c[c-]c(-c2csc3cc4c5ccccc5n(-c5[c-]c6c7c(oc6o5)C(C)(C)c5ccccc5C7(C)[Si](c5ccccc5)c5ccccc5)c4nc23)c1.[Cu+2].[Cu+2].[Cu+2].[c-]1coc2cccc(-c3ccc4c5ccccc5n(-c5[c-]c6c(ccc7c8ccccc8n([Si](c8ccccc8)c8ccccc8)c67)o5)c4n3)c12.

What is the InChIKey of CID 159953158?

The InChIKey is GHOAFQQGIUIJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N3O2SSi.C45H26N3O2Si.C44H32N5O2Si.3Cu/c1-46(2)36-20-12-13-21-37(36)47(3,54(30-15-7-5-8-16-30)31-17-9-6-10-18-31)41-34-26-40(51-45(34)52-43(41)46)50-38-22-14-11-19-32(38)33-25-39-42(48-44(33)50)35(28-53-39)29-23-24-49(4)27-29;1-3-12-29(13-4-1)51(30-14-5-2-6-15-30)48-40-20-10-8-16-32(40)35-23-25-42-37(44(35)48)28-43(50-42)47-39-19-9-7-17-33(39)36-22-24-38(46-45(36)47)31-18-11-21-41-34(31)26-27-49-41;1-29-25-30(2)47(27-29)39-28-50-43-36(39)26-40(51-43)48(31-15-7-4-8-16-31)44-45-41-38(46(44)3)24-23-35-34-21-13-14-22-37(34)49(42(35)41)52(32-17-9-5-10-18-32)33-19-11-6-12-20-33;;;/h5-22,24-25,27-28H,1-4H3;1-25,27H;4-25,28H,1-3H3;;;/q3*-2;3*+2.

What are the key properties of CID 159953158?

CID 159953158 has a molecular weight of 2283.27 g/mol, XLogP of 28.98, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for CID 159953158 is sourced from PubChem (CID 159953158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).