methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane

C42H34OSi — CID 102274774

IUPACmethoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane
SMILESCO[Si](c1ccccc1)(c1ccccc1)C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C42H34OSi/c1-43-44(36-28-16-6-17-29-36,37-30-18-7-19-31-37)42-40(34-24-12-4-13-25-34)38(32-20-8-2-9-21-32)39(33-22-10-3-11-23-33)41(42)35-26-14-5-15-27-35/h2-31,42H,1H3
InChIKeyIONXEWKOBCWJTR-UHFFFAOYSA-N
MW582.82 g/mol
LogP9.00
Rot. Bonds8

About methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane

methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 102274774) has the molecular formula C42H34OSi and a molecular weight of 582.82 g/mol. Its IUPAC name is methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namemethoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane
PubChem CID102274774
Molecular FormulaC42H34OSi
Molecular Weight582.82 g/mol
Exact Mass582.24
IUPAC Namemethoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane
SMILESCO[Si](c1ccccc1)(c1ccccc1)C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C42H34OSi/c1-43-44(36-28-16-6-17-29-36,37-30-18-7-19-31-37)42-40(34-24-12-4-13-25-34)38(32-20-8-2-9-21-32)39(33-22-10-3-11-23-33)41(42)35-26-14-5-15-27-35/h2-31,42H,1H3
InChIKeyIONXEWKOBCWJTR-UHFFFAOYSA-N
XLogP9.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.82
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane (CID 102274774) is methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane is CO[Si](c1ccccc1)(c1ccccc1)C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is IONXEWKOBCWJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34OSi/c1-43-44(36-28-16-6-17-29-36,37-30-18-7-19-31-37)42-40(34-24-12-4-13-25-34)38(32-20-8-2-9-21-32)39(33-22-10-3-11-23-33)41(42)35-26-14-5-15-27-35/h2-31,42H,1H3.
What are the key properties of methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane?
methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 582.82 g/mol, XLogP of 9.00, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-diphenyl-(2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 102274774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).