CID 20700347

C42H39NSi — CID 20700347

IUPAC—
SMILESCC(C)(c1ccccc1)c1ccc(N(c2ccc([Si]c3ccccc3)cc2)c2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C42H39NSi/c1-41(2,32-14-8-5-9-15-32)34-20-24-36(25-21-34)43(38-28-30-40(31-29-38)44-39-18-12-7-13-19-39)37-26-22-35(23-27-37)42(3,4)33-16-10-6-11-17-33/h5-31H,1-4H3
InChIKeyVZZOXFPOVJTOBU-UHFFFAOYSA-N
MW585.87 g/mol
LogP9.46
Rot. Bonds9

About CID 20700347

CID 20700347 (PubChem CID 20700347) has the molecular formula C42H39NSi and a molecular weight of 585.87 g/mol.

Molecular Properties

Compound NameCID 20700347
PubChem CID20700347
Molecular FormulaC42H39NSi
Molecular Weight585.87 g/mol
Exact Mass585.29
IUPAC Name—
SMILESCC(C)(c1ccccc1)c1ccc(N(c2ccc([Si]c3ccccc3)cc2)c2ccc(C(C)(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C42H39NSi/c1-41(2,32-14-8-5-9-15-32)34-20-24-36(25-21-34)43(38-28-30-40(31-29-38)44-39-18-12-7-13-19-39)37-26-22-35(23-27-37)42(3,4)33-16-10-6-11-17-33/h5-31H,1-4H3
InChIKeyVZZOXFPOVJTOBU-UHFFFAOYSA-N
XLogP9.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.87
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20700347?
The IUPAC name of CID 20700347 (CID 20700347) is not available.
What is the SMILES notation for CID 20700347?
The canonical SMILES for CID 20700347 is CC(C)(c1ccccc1)c1ccc(N(c2ccc([Si]c3ccccc3)cc2)c2ccc(C(C)(C)c3ccccc3)cc2)cc1.
What is the InChIKey of CID 20700347?
The InChIKey is VZZOXFPOVJTOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H39NSi/c1-41(2,32-14-8-5-9-15-32)34-20-24-36(25-21-34)43(38-28-30-40(31-29-38)44-39-18-12-7-13-19-39)37-26-22-35(23-27-37)42(3,4)33-16-10-6-11-17-33/h5-31H,1-4H3.
What are the key properties of CID 20700347?
CID 20700347 has a molecular weight of 585.87 g/mol, XLogP of 9.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20700347 is sourced from PubChem (CID 20700347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).