[4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane

C44H42Si2 — CID 59974310

IUPAC[4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane
SMILESCC=C[Si](c1ccccc1)(c1ccccc1)c1ccc([Si](C=Cc2cc(C)c(C)cc2C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H42Si2/c1-5-31-45(39-18-10-6-11-19-39,40-20-12-7-13-21-40)43-26-28-44(29-27-43)46(41-22-14-8-15-23-41,42-24-16-9-17-25-42)32-30-38-34-36(3)35(2)33-37(38)4/h5-34H,1-4H3
InChIKeyKLXVOAPQKNDJPS-UHFFFAOYSA-N
MW626.99 g/mol
LogP6.92
Rot. Bonds9

About [4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane

[4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane (PubChem CID 59974310) has the molecular formula C44H42Si2 and a molecular weight of 626.99 g/mol. Its IUPAC name is [4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane.

Molecular Properties

Compound Name[4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane
PubChem CID59974310
Molecular FormulaC44H42Si2
Molecular Weight626.99 g/mol
Exact Mass626.28
IUPAC Name[4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane
SMILESCC=C[Si](c1ccccc1)(c1ccccc1)c1ccc([Si](C=Cc2cc(C)c(C)cc2C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C44H42Si2/c1-5-31-45(39-18-10-6-11-19-39,40-20-12-7-13-21-40)43-26-28-44(29-27-43)46(41-22-14-8-15-23-41,42-24-16-9-17-25-42)32-30-38-34-36(3)35(2)33-37(38)4/h5-34H,1-4H3
InChIKeyKLXVOAPQKNDJPS-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.99
LogP ≤ 56.92
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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Related Compounds

(4-methylphenyl)-diphenyl-[(E)-prop-1-enyl]silane
CID 101122697
1,2,4-trimethyl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
CID 102074694
[(1E,4Z)-hexa-1,4-dienyl]-triphenylsilane
CID 10903938
1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene
CID 170552806
1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
CID 142173958
triphenyl-[2-[5-(2-triphenylsilylethenyl)thiophen-2-yl]ethenyl]silane
CID 59955085
dimethyl-[(E)-2-(2-methylphenyl)ethenyl]-phenylsilane
CID 135061713
dimethyl-[(Z)-2-(2-methylphenyl)ethenyl]-phenylsilane
CID 11528952
[(E)-2-(4-bromophenyl)ethenyl]-triphenylsilane
CID 132821935
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504
(E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one
CID 18292568

Frequently Asked Questions

What is the IUPAC name of [4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane?
The IUPAC name of [4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane (CID 59974310) is [4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane.
What is the SMILES notation for [4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane?
The canonical SMILES for [4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane is CC=C[Si](c1ccccc1)(c1ccccc1)c1ccc([Si](C=Cc2cc(C)c(C)cc2C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane?
The InChIKey is KLXVOAPQKNDJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42Si2/c1-5-31-45(39-18-10-6-11-19-39,40-20-12-7-13-21-40)43-26-28-44(29-27-43)46(41-22-14-8-15-23-41,42-24-16-9-17-25-42)32-30-38-34-36(3)35(2)33-37(38)4/h5-34H,1-4H3.
What are the key properties of [4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane?
[4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane has a molecular weight of 626.99 g/mol, XLogP of 6.92, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane is sourced from PubChem (CID 59974310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).