1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene

C32H26N2O6 — CID 154194561

IUPAC1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
SMILESCOc1ccc(C=Cc2cc(C=Cc3ccc([N+](=O)[O-])cc3)cc(C=Cc3ccccc3[N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C32H26N2O6/c1-39-31-18-14-24(22-32(31)40-2)8-10-26-19-25(9-7-23-12-16-29(17-13-23)33(35)36)20-27(21-26)11-15-28-5-3-4-6-30(28)34(37)38/h3-22H,1-2H3
InChIKeyJRVQXIQDSOIXJI-UHFFFAOYSA-N
MW534.57 g/mol
LogP8.03
Rot. Bonds10

About 1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene

1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene (PubChem CID 154194561) has the molecular formula C32H26N2O6 and a molecular weight of 534.57 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
PubChem CID154194561
Molecular FormulaC32H26N2O6
Molecular Weight534.57 g/mol
Exact Mass534.18
IUPAC Name1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
SMILESCOc1ccc(C=Cc2cc(C=Cc3ccc([N+](=O)[O-])cc3)cc(C=Cc3ccccc3[N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C32H26N2O6/c1-39-31-18-14-24(22-32(31)40-2)8-10-26-19-25(9-7-23-12-16-29(17-13-23)33(35)36)20-27(21-26)11-15-28-5-3-4-6-30(28)34(37)38/h3-22H,1-2H3
InChIKeyJRVQXIQDSOIXJI-UHFFFAOYSA-N
XLogP8.03
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.57
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
CID 73187719
1,2-dimethoxy-4-nitro-5-[(E)-2-phenylethenyl]benzene
CID 101203170
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
[4-[2-(2,4-dinitrophenyl)ethenyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 23962809
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
[2-methoxy-4-[2-(4-nitrophenyl)ethenyl]phenyl] dimethyl phosphate
CID 68977103
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919
[4-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-methoxyphenyl] 3-chlorobenzoate
CID 19171712
1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]ethenyl]benzene
CID 58864026
[4-[2-(2-nitrophenyl)ethenyl]phenyl] acetate
CID 66627035
2-[(E)-2-(2-nitrophenyl)ethenyl]anthracene-9,10-dione
CID 175395824
2-bromo-6-methoxy-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740130

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene (CID 154194561) is 1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene is COc1ccc(C=Cc2cc(C=Cc3ccc([N+](=O)[O-])cc3)cc(C=Cc3ccccc3[N+](=O)[O-])c2)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene?
The InChIKey is JRVQXIQDSOIXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O6/c1-39-31-18-14-24(22-32(31)40-2)8-10-26-19-25(9-7-23-12-16-29(17-13-23)33(35)36)20-27(21-26)11-15-28-5-3-4-6-30(28)34(37)38/h3-22H,1-2H3.
What are the key properties of 1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene?
1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene has a molecular weight of 534.57 g/mol, XLogP of 8.03, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[2-[3-[2-(2-nitrophenyl)ethenyl]-5-[2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 154194561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).