CID 66733482

C42H45F2N3O8Si — CID 66733482

About CID 66733482

CID 66733482 (PubChem CID 66733482) has the molecular formula C42H45F2N3O8Si and a molecular weight of 785.92 g/mol.

Molecular Properties

• Compound Name: CID 66733482
• PubChem CID: 66733482
• Molecular Formula: C42H45F2N3O8Si
• Molecular Weight: 785.92 g/mol
• Exact Mass: 785.29
• IUPAC Name: —
• SMILES: CC(C)(C)[Si]OC(C)(C)[C@H]1CN(c2ccc(OC[C@@H]3C[C@H]4COc5c(c(F)cc6c(=O)c(C(=O)OCc7ccccc7)cn(C7CC7)c56)N4C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C42H45F2N3O8Si/c1-41(2,3)56-55-42(4,5)34-20-47(40(50)54-34)27-13-14-33(31(43)16-27)51-22-25-15-28-23-52-38-35-29(17-32(44)36(38)45(28)18-25)37(48)30(19-46(35)26-11-12-26)39(49)53-21-24-9-7-6-8-10-24/h6-10,13-14,16-17,19,25-26,28,34H,11-12,15,18,20-23H2,1-5H3/t25-,28+,34-/m1/s1
• InChIKey: WZNPQOHXTWJAKS-BOBBVNGGSA-N
• XLogP: 7.60
• TPSA: 108.77 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.92
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 66733482?

The IUPAC name of CID 66733482 (CID 66733482) is not available.

What is the SMILES notation for CID 66733482?

The canonical SMILES for CID 66733482 is CC(C)(C)[Si]OC(C)(C)[C@H]1CN(c2ccc(OC[C@@H]3C[C@H]4COc5c(c(F)cc6c(=O)c(C(=O)OCc7ccccc7)cn(C7CC7)c56)N4C3)c(F)c2)C(=O)O1.

What is the InChIKey of CID 66733482?

The InChIKey is WZNPQOHXTWJAKS-BOBBVNGGSA-N. The full InChI is InChI=1S/C42H45F2N3O8Si/c1-41(2,3)56-55-42(4,5)34-20-47(40(50)54-34)27-13-14-33(31(43)16-27)51-22-25-15-28-23-52-38-35-29(17-32(44)36(38)45(28)18-25)37(48)30(19-46(35)26-11-12-26)39(49)53-21-24-9-7-6-8-10-24/h6-10,13-14,16-17,19,25-26,28,34H,11-12,15,18,20-23H2,1-5H3/t25-,28+,34-/m1/s1.

What are the key properties of CID 66733482?

CID 66733482 has a molecular weight of 785.92 g/mol, XLogP of 7.60, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for CID 66733482 is sourced from PubChem (CID 66733482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).