1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene

C32H32O6 — CID 155816049

IUPAC1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
SMILESCOc1cc(/C=C\c2ccc(-c3ccc(-c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C32H32O6/c1-33-27-17-22(18-28(34-2)31(27)37-5)8-7-21-9-11-23(12-10-21)24-13-15-25(16-14-24)26-19-29(35-3)32(38-6)30(20-26)36-4/h7-20H,1-6H3/b8-7-
InChIKeyLOFQGXUKUUBDJI-FPLPWBNLSA-N
MW512.60 g/mol
LogP7.24
Rot. Bonds10

About 1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene

1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene (PubChem CID 155816049) has the molecular formula C32H32O6 and a molecular weight of 512.60 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
PubChem CID155816049
Molecular FormulaC32H32O6
Molecular Weight512.60 g/mol
Exact Mass512.22
IUPAC Name1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene
SMILESCOc1cc(/C=C\c2ccc(-c3ccc(-c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C32H32O6/c1-33-27-17-22(18-28(34-2)31(27)37-5)8-7-21-9-11-23(12-10-21)24-13-15-25(16-14-24)26-19-29(35-3)32(38-6)30(20-26)36-4/h7-20H,1-6H3/b8-7-
InChIKeyLOFQGXUKUUBDJI-FPLPWBNLSA-N
XLogP7.24
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 ≤ 57.24
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

5-[(E)-2-(4-ethenylphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 59348795
1,2,3,4,5-pentabromo-6-[2-[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzene
CID 141245082
1,2,3-trimethoxy-5-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 6296346
N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 54188943
5-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 102253112
2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 53415045
5-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 175460440
5-[(Z)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 137454170
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
2-methyl-5-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 19688317
5-[2-(4-butoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 86208123

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene (CID 155816049) is 1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene is COc1cc(/C=C\c2ccc(-c3ccc(-c4cc(OC)c(OC)c(OC)c4)cc3)cc2)cc(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene?
The InChIKey is LOFQGXUKUUBDJI-FPLPWBNLSA-N. The full InChI is InChI=1S/C32H32O6/c1-33-27-17-22(18-28(34-2)31(27)37-5)8-7-21-9-11-23(12-10-21)24-13-15-25(16-14-24)26-19-29(35-3)32(38-6)30(20-26)36-4/h7-20H,1-6H3/b8-7-.
What are the key properties of 1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene?
1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene has a molecular weight of 512.60 g/mol, XLogP of 7.24, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[4-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]phenyl]benzene is sourced from PubChem (CID 155816049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).