1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene

C28H24O2S2 — CID 14909159

IUPAC1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene
SMILESCOc1ccc(S/C(=C(/Sc2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24O2S2/c1-29-23-13-17-25(18-14-23)31-27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)32-26-19-15-24(30-2)16-20-26/h3-20H,1-2H3/b28-27+
InChIKeyRXPXSDYOSXKXEQ-BYYHNAKLSA-N
MW456.63 g/mol
LogP8.11
Rot. Bonds8

About 1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene

1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene (PubChem CID 14909159) has the molecular formula C28H24O2S2 and a molecular weight of 456.63 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene
PubChem CID14909159
Molecular FormulaC28H24O2S2
Molecular Weight456.63 g/mol
Exact Mass456.12
IUPAC Name1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene
SMILESCOc1ccc(S/C(=C(/Sc2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H24O2S2/c1-29-23-13-17-25(18-14-23)31-27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)32-26-19-15-24(30-2)16-20-26/h3-20H,1-2H3/b28-27+
InChIKeyRXPXSDYOSXKXEQ-BYYHNAKLSA-N
XLogP8.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[(E)-3,3,3-trifluoro-2-phenyl-1-phenylsulfanylprop-1-enyl]benzene
CID 102466577
1-methoxy-4-phenylsulfanyloxysulfanylbenzene
CID 57195769
1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 15417407
1-methoxy-4-[(E)-2-phenyl-1,2-bis(phenylselanyl)ethenyl]benzene
CID 71551226
(Z)-3-(4-methoxyphenyl)sulfanyl-2-phenylprop-2-enenitrile
CID 101045592
S-phenyl (Z)-3-amino-3-(4-methoxyphenyl)prop-2-enethioate
CID 102048729
[4-(4-methoxyphenyl)sulfanyl-2-methylsulfanylphenyl]-phenylmethanone
CID 174960866
S-phenyl (E)-3-(4-methoxyphenyl)prop-2-enethioate
CID 102357044
S-(4-methoxyphenyl) 2-aminobenzenecarbothioate
CID 102448989
anisole;hydrochloride
CID 158800007
anisole;trihydrofluoride
CID 174796385
CID 172685187
CID 172685187

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene?
The IUPAC name of 1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene (CID 14909159) is 1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene.
What is the SMILES notation for 1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene?
The canonical SMILES for 1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene is COc1ccc(S/C(=C(/Sc2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene?
The InChIKey is RXPXSDYOSXKXEQ-BYYHNAKLSA-N. The full InChI is InChI=1S/C28H24O2S2/c1-29-23-13-17-25(18-14-23)31-27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)32-26-19-15-24(30-2)16-20-26/h3-20H,1-2H3/b28-27+.
What are the key properties of 1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene?
1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene has a molecular weight of 456.63 g/mol, XLogP of 8.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene is sourced from PubChem (CID 14909159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).