[(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane

C54H62O2Si2 — CID 100999682

IUPAC[(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane
SMILESCCCCOc1cc(/C=C/c2ccc(/C=C/[Si](C)(C)/C=C/c3ccccc3)cc2)c(OCCCC)cc1/C=C/c1ccc(/C=C/[Si](C)(C)/C=C/c2ccccc2)cc1
InChIInChI=1S/C54H62O2Si2/c1-7-9-37-55-53-43-52(32-30-48-23-27-50(28-24-48)36-42-58(5,6)40-34-46-19-15-12-16-20-46)54(56-38-10-8-2)44-51(53)31-29-47-21-25-49(26-22-47)35-41-57(3,4)39-33-45-17-13-11-14-18-45/h11-36,39-44H,7-10,37-38H2,1-6H3/b31-29+,32-30+,39-33+,40-34+,41-35+,42-36+
InChIKeyXHHZRNHKTJNYIJ-UUEGWGKHSA-N
MW799.26 g/mol
LogP15.41
Rot. Bonds20

About [(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane

[(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane (PubChem CID 100999682) has the molecular formula C54H62O2Si2 and a molecular weight of 799.26 g/mol. Its IUPAC name is [(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane.

Molecular Properties

Compound Name[(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane
PubChem CID100999682
Molecular FormulaC54H62O2Si2
Molecular Weight799.26 g/mol
Exact Mass798.43
IUPAC Name[(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane
SMILESCCCCOc1cc(/C=C/c2ccc(/C=C/[Si](C)(C)/C=C/c3ccccc3)cc2)c(OCCCC)cc1/C=C/c1ccc(/C=C/[Si](C)(C)/C=C/c2ccccc2)cc1
InChIInChI=1S/C54H62O2Si2/c1-7-9-37-55-53-43-52(32-30-48-23-27-50(28-24-48)36-42-58(5,6)40-34-46-19-15-12-16-20-46)54(56-38-10-8-2)44-51(53)31-29-47-21-25-49(26-22-47)35-41-57(3,4)39-33-45-17-13-11-14-18-45/h11-36,39-44H,7-10,37-38H2,1-6H3/b31-29+,32-30+,39-33+,40-34+,41-35+,42-36+
InChIKeyXHHZRNHKTJNYIJ-UUEGWGKHSA-N
XLogP15.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.26
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]phenyl]ethenyl]-2,5-dioctoxybenzene
CID 101056714
1,4-dioctoxy-2-[(E)-2-phenylethenyl]-5-[(E)-2-[4-[(E)-2-[4-[tris[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 102014093
4-[(E)-2-[4-[(E)-2-(4-formylphenyl)ethenyl]-2,5-dihexadecoxyphenyl]ethenyl]benzaldehyde
CID 102237302
4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl]ethenyl]-1-methylpyridin-1-ium
CID 139200395
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine
CID 177480609
1-[(E)-2-(4-bromophenyl)ethenyl]-5-[(2S)-2-ethylhexoxy]-2-[(2R)-2-ethylhexoxy]-4-[(E)-2-phenylethenyl]benzene
CID 135816764
1,4-bis(2-ethylhexoxy)-2,5-bis[(E)-2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 101390382
2-methoxy-1-pentoxy-4-[(E)-2-phenylethenyl]benzene
CID 102312295
N-[4-[(E)-2-[2,5-dihexoxy-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 101129124
1-ethyl-2,5-bis(3-phenylpropoxy)-4-[2-(4-prop-1-enylphenyl)ethenyl]benzene
CID 59950332
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916
2-[4-[(E)-2-(2,5-dibutoxyphenyl)ethenyl]phenyl]-5-(4-ethenylphenyl)-1,3,4-oxadiazole
CID 102212549

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane?
The IUPAC name of [(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane (CID 100999682) is [(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane.
What is the SMILES notation for [(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane?
The canonical SMILES for [(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane is CCCCOc1cc(/C=C/c2ccc(/C=C/[Si](C)(C)/C=C/c3ccccc3)cc2)c(OCCCC)cc1/C=C/c1ccc(/C=C/[Si](C)(C)/C=C/c2ccccc2)cc1.
What is the InChIKey of [(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane?
The InChIKey is XHHZRNHKTJNYIJ-UUEGWGKHSA-N. The full InChI is InChI=1S/C54H62O2Si2/c1-7-9-37-55-53-43-52(32-30-48-23-27-50(28-24-48)36-42-58(5,6)40-34-46-19-15-12-16-20-46)54(56-38-10-8-2)44-51(53)31-29-47-21-25-49(26-22-47)35-41-57(3,4)39-33-45-17-13-11-14-18-45/h11-36,39-44H,7-10,37-38H2,1-6H3/b31-29+,32-30+,39-33+,40-34+,41-35+,42-36+.
What are the key properties of [(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane?
[(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane has a molecular weight of 799.26 g/mol, XLogP of 15.41, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[4-[(E)-2-[2,5-dibutoxy-4-[(E)-2-[4-[(E)-2-[dimethyl-[(E)-2-phenylethenyl]silyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]-dimethyl-[(E)-2-phenylethenyl]silane is sourced from PubChem (CID 100999682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).