CID 166144324

C44H54FN8O5SSi3 — CID 166144324

About CID 166144324

CID 166144324 (PubChem CID 166144324) has the molecular formula C44H54FN8O5SSi3 and a molecular weight of 910.29 g/mol.

Molecular Properties

• Compound Name: CID 166144324
• PubChem CID: 166144324
• Molecular Formula: C44H54FN8O5SSi3
• Molecular Weight: 910.29 g/mol
• Exact Mass: 909.32
• IUPAC Name: —
• SMILES: CCn1c(-c2cc(N3CCN(C)CC3)cnc2[C@@](C)([Si])OC)c2c3cc(ccc31)-c1csc(n1)CC([Si])(NC(=O)[C@@]1([Si])C[C@@H]1CF)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2
• InChI: InChI=1S/C44H54FN8O5SSi3/c1-7-52-34-11-10-26-17-29(34)31(36(52)30-18-28(51-15-13-50(5)14-16-51)23-46-37(30)42(4,60)57-6)20-41(2,3)25-58-38(54)32-9-8-12-53(49-32)40(56)44(62,21-35-47-33(26)24-59-35)48-39(55)43(61)19-27(43)22-45/h10-11,17-18,23-24,27,32,49H,7-9,12-16,19-22,25H2,1-6H3,(H,48,55)/t27-,32+,42-,43-,44?/m1/s1
• InChIKey: SFIGXCSQSPJIIN-JNVDSTSISA-N
• XLogP: 4.05
• TPSA: 134.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.29
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 166144324?

The IUPAC name of CID 166144324 (CID 166144324) is not available.

What is the SMILES notation for CID 166144324?

The canonical SMILES for CID 166144324 is CCn1c(-c2cc(N3CCN(C)CC3)cnc2[C@@](C)([Si])OC)c2c3cc(ccc31)-c1csc(n1)CC([Si])(NC(=O)[C@@]1([Si])C[C@@H]1CF)C(=O)N1CCC[C@H](N1)C(=O)OCC(C)(C)C2.

What is the InChIKey of CID 166144324?

The InChIKey is SFIGXCSQSPJIIN-JNVDSTSISA-N. The full InChI is InChI=1S/C44H54FN8O5SSi3/c1-7-52-34-11-10-26-17-29(34)31(36(52)30-18-28(51-15-13-50(5)14-16-51)23-46-37(30)42(4,60)57-6)20-41(2,3)25-58-38(54)32-9-8-12-53(49-32)40(56)44(62,21-35-47-33(26)24-59-35)48-39(55)43(61)19-27(43)22-45/h10-11,17-18,23-24,27,32,49H,7-9,12-16,19-22,25H2,1-6H3,(H,48,55)/t27-,32+,42-,43-,44?/m1/s1.

What are the key properties of CID 166144324?

CID 166144324 has a molecular weight of 910.29 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for CID 166144324 is sourced from PubChem (CID 166144324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).