di(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane

C42H40Si2 — CID 168834161

IUPACdi(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane
SMILESC1=CCC([Si](C2=CC([Si](c3ccccc3)(c3ccccc3)c3ccccc3)CC=C2)(c2ccccc2)C2C=CC=CC2)C=C1
InChIInChI=1S/C42H40Si2/c1-7-20-35(21-8-1)43(36-22-9-2-10-23-36,37-24-11-3-12-25-37)41-32-19-33-42(34-41)44(38-26-13-4-14-27-38,39-28-15-5-16-29-39)40-30-17-6-18-31-40/h1-28,30,33-34,39-41H,29,31-32H2
InChIKeyYRJWKUPYAQYNIV-UHFFFAOYSA-N
MW600.95 g/mol
LogP8.08
Rot. Bonds8

About di(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane

di(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane (PubChem CID 168834161) has the molecular formula C42H40Si2 and a molecular weight of 600.95 g/mol. Its IUPAC name is di(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane.

Molecular Properties

Compound Namedi(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane
PubChem CID168834161
Molecular FormulaC42H40Si2
Molecular Weight600.95 g/mol
Exact Mass600.27
IUPAC Namedi(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane
SMILESC1=CCC([Si](C2=CC([Si](c3ccccc3)(c3ccccc3)c3ccccc3)CC=C2)(c2ccccc2)C2C=CC=CC2)C=C1
InChIInChI=1S/C42H40Si2/c1-7-20-35(21-8-1)43(36-22-9-2-10-23-36,37-24-11-3-12-25-37)41-32-19-33-42(34-41)44(38-26-13-4-14-27-38,39-28-15-5-16-29-39)40-30-17-6-18-31-40/h1-28,30,33-34,39-41H,29,31-32H2
InChIKeyYRJWKUPYAQYNIV-UHFFFAOYSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.95
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of di(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane?
The IUPAC name of di(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane (CID 168834161) is di(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane.
What is the SMILES notation for di(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane?
The canonical SMILES for di(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane is C1=CCC([Si](C2=CC([Si](c3ccccc3)(c3ccccc3)c3ccccc3)CC=C2)(c2ccccc2)C2C=CC=CC2)C=C1.
What is the InChIKey of di(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane?
The InChIKey is YRJWKUPYAQYNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40Si2/c1-7-20-35(21-8-1)43(36-22-9-2-10-23-36,37-24-11-3-12-25-37)41-32-19-33-42(34-41)44(38-26-13-4-14-27-38,39-28-15-5-16-29-39)40-30-17-6-18-31-40/h1-28,30,33-34,39-41H,29,31-32H2.
What are the key properties of di(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane?
di(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane has a molecular weight of 600.95 g/mol, XLogP of 8.08, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(cyclohexa-2,4-dien-1-yl)-phenyl-(3-triphenylsilylcyclohexa-1,5-dien-1-yl)silane is sourced from PubChem (CID 168834161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).