CID 167372188

C63H67BN2SSi — CID 167372188

About CID 167372188

CID 167372188 (PubChem CID 167372188) has the molecular formula C63H67BN2SSi and a molecular weight of 923.21 g/mol.

Molecular Properties

• Compound Name: CID 167372188
• PubChem CID: 167372188
• Molecular Formula: C63H67BN2SSi
• Molecular Weight: 923.21 g/mol
• Exact Mass: 922.49
• IUPAC Name: —
• SMILES: Cc1cc2c3c(c1)N(c1cccc4c1[Si]c1ccccc1-4)c1c(sc4cc5c(cc14)C(C)(C)CCC5(C)C)B3c1cc3c(cc1N2c1ccc2c(c1)C(C)(C)CCC2(C)C)C(C)(C)CCC3(C)C
• InChI: InChI=1S/C63H67BN2SSi/c1-36-29-50-54-51(30-36)66(48-19-16-18-39-38-17-14-15-20-53(38)68-56(39)48)55-40-32-43-46(63(12,13)28-25-60(43,6)7)35-52(40)67-57(55)64(54)47-33-44-45(62(10,11)27-26-61(44,8)9)34-49(47)65(50)37-21-22-41-42(31-37)59(4,5)24-23-58(41,2)3/h14-22,29-35H,23-28H2,1-13H3
• InChIKey: CGLYUAQJUXCWDJ-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 6.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.21
LogP ≤ 5	13.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 167372188?

The IUPAC name of CID 167372188 (CID 167372188) is not available.

What is the SMILES notation for CID 167372188?

The canonical SMILES for CID 167372188 is Cc1cc2c3c(c1)N(c1cccc4c1[Si]c1ccccc1-4)c1c(sc4cc5c(cc14)C(C)(C)CCC5(C)C)B3c1cc3c(cc1N2c1ccc2c(c1)C(C)(C)CCC2(C)C)C(C)(C)CCC3(C)C.

What is the InChIKey of CID 167372188?

The InChIKey is CGLYUAQJUXCWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H67BN2SSi/c1-36-29-50-54-51(30-36)66(48-19-16-18-39-38-17-14-15-20-53(38)68-56(39)48)55-40-32-43-46(63(12,13)28-25-60(43,6)7)35-52(40)67-57(55)64(54)47-33-44-45(62(10,11)27-26-61(44,8)9)34-49(47)65(50)37-21-22-41-42(31-37)59(4,5)24-23-58(41,2)3/h14-22,29-35H,23-28H2,1-13H3.

What are the key properties of CID 167372188?

CID 167372188 has a molecular weight of 923.21 g/mol, XLogP of 13.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for CID 167372188 is sourced from PubChem (CID 167372188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).