4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

C32H30O4S — CID 70182871

IUPAC4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2ccc(OC)cc2Sc2cc(OC)ccc2/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H30O4S/c1-33-27-15-7-23(8-16-27)5-11-25-13-19-29(35-3)21-31(25)37-32-22-30(36-4)20-14-26(32)12-6-24-9-17-28(34-2)18-10-24/h5-22H,1-4H3/b11-5+,12-6+
InChIKeyGOFYQMYJNRIKEF-YDWXAUTNSA-N
MW510.66 g/mol
LogP8.21
Rot. Bonds10

About 4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 70182871) has the molecular formula C32H30O4S and a molecular weight of 510.66 g/mol. Its IUPAC name is 4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID70182871
Molecular FormulaC32H30O4S
Molecular Weight510.66 g/mol
Exact Mass510.19
IUPAC Name4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C/c2ccc(OC)cc2Sc2cc(OC)ccc2/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H30O4S/c1-33-27-15-7-23(8-16-27)5-11-25-13-19-29(35-3)21-31(25)37-32-22-30(36-4)20-14-26(32)12-6-24-9-17-28(34-2)18-10-24/h5-22H,1-4H3/b11-5+,12-6+
InChIKeyGOFYQMYJNRIKEF-YDWXAUTNSA-N
XLogP8.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.66
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1,4-diiodo-2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 101211712
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
N,N-bis(4-methoxyphenyl)-4-[2-[2,4,5-tris[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 155888504
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium
CID 18996875
4-[(Z)-2-(4-methoxyphenyl)ethenyl]-1,2-dimethylbenzene
CID 10999067
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030
4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
CID 5092945
2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 68729529
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (CID 70182871) is 4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is COc1ccc(/C=C/c2ccc(OC)cc2Sc2cc(OC)ccc2/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is GOFYQMYJNRIKEF-YDWXAUTNSA-N. The full InChI is InChI=1S/C32H30O4S/c1-33-27-15-7-23(8-16-27)5-11-25-13-19-29(35-3)21-31(25)37-32-22-30(36-4)20-14-26(32)12-6-24-9-17-28(34-2)18-10-24/h5-22H,1-4H3/b11-5+,12-6+.
What are the key properties of 4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 510.66 g/mol, XLogP of 8.21, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[5-methoxy-2-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]sulfanyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 70182871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).