1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene

C27H22OSe2 — CID 71551226

IUPAC1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene
SMILESCOc1ccc(/C([Se]c2ccccc2)=C(\[Se]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H22OSe2/c1-28-23-19-17-22(18-20-23)27(30-25-15-9-4-10-16-25)26(21-11-5-2-6-12-21)29-24-13-7-3-8-14-24/h2-20H,1H3/b27-26+
InChIKeyRCZKQOHYCVBYPU-CYYJNZCTSA-N
MW520.39 g/mol
LogP4.58
Rot. Bonds7

About 1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene

1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene (PubChem CID 71551226) has the molecular formula C27H22OSe2 and a molecular weight of 520.39 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene
PubChem CID71551226
Molecular FormulaC27H22OSe2
Molecular Weight520.39 g/mol
Exact Mass522.00
IUPAC Name1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene
SMILESCOc1ccc(/C([Se]c2ccccc2)=C(\[Se]c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H22OSe2/c1-28-23-19-17-22(18-20-23)27(30-25-15-9-4-10-16-25)26(21-11-5-2-6-12-21)29-24-13-7-3-8-14-24/h2-20H,1H3/b27-26+
InChIKeyRCZKQOHYCVBYPU-CYYJNZCTSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.39
LogP ≤ 54.58
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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Related Compounds

1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene
CID 134920953
(Z)-1-(4-methoxyphenyl)-3-phenyl-3-phenylselanylprop-2-en-1-one
CID 15851628
(Z)-3-(4-methoxyphenyl)-3-phenylselanylprop-2-enoic acid
CID 12615337
(Z)-3-(4-methoxyphenyl)selanyl-3-phenylprop-2-enenitrile
CID 10519304
CID 12714057
CID 12714057
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene
CID 14909159
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-methoxy-4-[phenyl(sulfonyl)methyl]benzene
CID 134894682
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
(4-methoxyphenyl)-phenylmethanimine
CID 10856767
1-(4-methoxyphenyl)-4-phenyl-4-phenylselanyl-2-(2-phenylselanylethyl)buta-2,3-dien-1-one
CID 57408707

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene (CID 71551226) is 1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene is COc1ccc(/C([Se]c2ccccc2)=C(\[Se]c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene?
The InChIKey is RCZKQOHYCVBYPU-CYYJNZCTSA-N. The full InChI is InChI=1S/C27H22OSe2/c1-28-23-19-17-22(18-20-23)27(30-25-15-9-4-10-16-25)26(21-11-5-2-6-12-21)29-24-13-7-3-8-14-24/h2-20H,1H3/b27-26+.
What are the key properties of 1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene?
1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene has a molecular weight of 520.39 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene is sourced from PubChem (CID 71551226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).