1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene

C32H32O6 — CID 59742495

IUPAC1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
SMILESCOc1cc(/C=C/c2ccc(/C=C/c3cc(OC)c(OC)c(OC)c3)c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C32H32O6/c1-33-27-17-21(18-28(34-2)31(27)37-5)11-13-23-15-16-24(26-10-8-7-9-25(23)26)14-12-22-19-29(35-3)32(38-6)30(20-22)36-4/h7-20H,1-6H3/b13-11+,14-12+
InChIKeyUERFXMWSAMAQJI-PHEQNACWSA-N
MW512.60 g/mol
LogP7.23
Rot. Bonds10

About 1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene

1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene (PubChem CID 59742495) has the molecular formula C32H32O6 and a molecular weight of 512.60 g/mol. Its IUPAC name is 1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene.

Molecular Properties

Compound Name1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
PubChem CID59742495
Molecular FormulaC32H32O6
Molecular Weight512.60 g/mol
Exact Mass512.22
IUPAC Name1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
SMILESCOc1cc(/C=C/c2ccc(/C=C/c3cc(OC)c(OC)c(OC)c3)c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C32H32O6/c1-33-27-17-21(18-28(34-2)31(27)37-5)11-13-23-15-16-24(26-10-8-7-9-25(23)26)14-12-22-19-29(35-3)32(38-6)30(20-22)36-4/h7-20H,1-6H3/b13-11+,14-12+
InChIKeyUERFXMWSAMAQJI-PHEQNACWSA-N
XLogP7.23
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.60
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium
CID 53315592
5-[(E)-2-(4-fluoro-2-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460433
3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine
CID 22349249
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
CID 85446251
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 69301541
1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
CID 53422272
1,2,3-trimethoxy-4-[(E)-2-phenylethenyl]benzene
CID 15696375
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
CID 5092945
disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 58600722
3-[(Z)-2-[3-(hydroxymethyl)-4,5-dimethoxyphenyl]ethenyl]-2,6-dimethoxyphenol
CID 89269608
1-methoxy-2,3-dinitro-4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene
CID 24854190
5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene?
The IUPAC name of 1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene (CID 59742495) is 1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene.
What is the SMILES notation for 1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene?
The canonical SMILES for 1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene is COc1cc(/C=C/c2ccc(/C=C/c3cc(OC)c(OC)c(OC)c3)c3ccccc23)cc(OC)c1OC.
What is the InChIKey of 1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene?
The InChIKey is UERFXMWSAMAQJI-PHEQNACWSA-N. The full InChI is InChI=1S/C32H32O6/c1-33-27-17-21(18-28(34-2)31(27)37-5)11-13-23-15-16-24(26-10-8-7-9-25(23)26)14-12-22-19-29(35-3)32(38-6)30(20-22)36-4/h7-20H,1-6H3/b13-11+,14-12+.
What are the key properties of 1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene?
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene has a molecular weight of 512.60 g/mol, XLogP of 7.23, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene is sourced from PubChem (CID 59742495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).