CID 66854265

C43H58N5O6Si2 — CID 66854265

IUPAC—
SMILESCc1ccc(Cn2cc(C(=O)Nc3cc(-c4cc5cc(C(O[Si](C)C)C(C)(C)C)ccc5n4C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c3)cn2)cc1
InChIInChI=1S/C43H58N5O6Si2/c1-29-13-15-30(16-14-29)25-47-26-33(24-44-47)39(49)45-34-23-35(40(50)46(27-34)28-52-19-20-56(10,11)12)37-22-32-21-31(38(42(2,3)4)54-55(8)9)17-18-36(32)48(37)41(51)53-43(5,6)7/h13-18,21-24,26-27,38H,19-20,25,28H2,1-12H3,(H,45,49)
InChIKeyWPXCLYJREBRFGU-UHFFFAOYSA-N
MW797.14 g/mol
LogP9.73
Rot. Bonds13

About CID 66854265

CID 66854265 (PubChem CID 66854265) has the molecular formula C43H58N5O6Si2 and a molecular weight of 797.14 g/mol.

Molecular Properties

Compound NameCID 66854265
PubChem CID66854265
Molecular FormulaC43H58N5O6Si2
Molecular Weight797.14 g/mol
Exact Mass796.39
IUPAC Name—
SMILESCc1ccc(Cn2cc(C(=O)Nc3cc(-c4cc5cc(C(O[Si](C)C)C(C)(C)C)ccc5n4C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c3)cn2)cc1
InChIInChI=1S/C43H58N5O6Si2/c1-29-13-15-30(16-14-29)25-47-26-33(24-44-47)39(49)45-34-23-35(40(50)46(27-34)28-52-19-20-56(10,11)12)37-22-32-21-31(38(42(2,3)4)54-55(8)9)17-18-36(32)48(37)41(51)53-43(5,6)7/h13-18,21-24,26-27,38H,19-20,25,28H2,1-12H3,(H,45,49)
InChIKeyWPXCLYJREBRFGU-UHFFFAOYSA-N
XLogP9.73
TPSA118.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.14
LogP ≤ 59.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 66854265?
The IUPAC name of CID 66854265 (CID 66854265) is not available.
What is the SMILES notation for CID 66854265?
The canonical SMILES for CID 66854265 is Cc1ccc(Cn2cc(C(=O)Nc3cc(-c4cc5cc(C(O[Si](C)C)C(C)(C)C)ccc5n4C(=O)OC(C)(C)C)c(=O)n(COCC[Si](C)(C)C)c3)cn2)cc1.
What is the InChIKey of CID 66854265?
The InChIKey is WPXCLYJREBRFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H58N5O6Si2/c1-29-13-15-30(16-14-29)25-47-26-33(24-44-47)39(49)45-34-23-35(40(50)46(27-34)28-52-19-20-56(10,11)12)37-22-32-21-31(38(42(2,3)4)54-55(8)9)17-18-36(32)48(37)41(51)53-43(5,6)7/h13-18,21-24,26-27,38H,19-20,25,28H2,1-12H3,(H,45,49).
What are the key properties of CID 66854265?
CID 66854265 has a molecular weight of 797.14 g/mol, XLogP of 9.73, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66854265 is sourced from PubChem (CID 66854265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).