CID 140795062

C40H56N6O4Si — CID 140795062

About CID 140795062

CID 140795062 (PubChem CID 140795062) has the molecular formula C40H56N6O4Si and a molecular weight of 713.01 g/mol.

Molecular Properties

• Compound Name: CID 140795062
• PubChem CID: 140795062
• Molecular Formula: C40H56N6O4Si
• Molecular Weight: 713.01 g/mol
• Exact Mass: 712.41
• IUPAC Name: —
• SMILES: COc1c(NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(C(C)(C)N(C)C)n4c3)c3ccccc32)cc(C(C)(C)C)cc1C(C)(C)O[Si]C(C)(C)C
• InChI: InChI=1S/C40H56N6O4Si/c1-37(2,3)25-22-29(40(9,10)50-51-38(4,5)6)34(48-13)31(23-25)42-36(47)41-30-19-20-32(28-17-15-14-16-27(28)30)49-26-18-21-33-43-44-35(46(33)24-26)39(7,8)45(11)12/h14-18,21-24,30,32H,19-20H2,1-13H3,(H2,41,42,47)/t30-,32+/m0/s1
• InChIKey: IPMQUSIXLNLKLI-XDFJSJKPSA-N
• XLogP: 8.70
• TPSA: 102.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	713.01
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 140795062?

The IUPAC name of CID 140795062 (CID 140795062) is not available.

What is the SMILES notation for CID 140795062?

The canonical SMILES for CID 140795062 is COc1c(NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(C(C)(C)N(C)C)n4c3)c3ccccc32)cc(C(C)(C)C)cc1C(C)(C)O[Si]C(C)(C)C.

What is the InChIKey of CID 140795062?

The InChIKey is IPMQUSIXLNLKLI-XDFJSJKPSA-N. The full InChI is InChI=1S/C40H56N6O4Si/c1-37(2,3)25-22-29(40(9,10)50-51-38(4,5)6)34(48-13)31(23-25)42-36(47)41-30-19-20-32(28-17-15-14-16-27(28)30)49-26-18-21-33-43-44-35(46(33)24-26)39(7,8)45(11)12/h14-18,21-24,30,32H,19-20H2,1-13H3,(H2,41,42,47)/t30-,32+/m0/s1.

What are the key properties of CID 140795062?

CID 140795062 has a molecular weight of 713.01 g/mol, XLogP of 8.70, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for CID 140795062 is sourced from PubChem (CID 140795062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).