1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene

C23H19NO2 — CID 118944433

IUPAC1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
SMILESCc1ccc(/C=C/c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C23H19NO2/c1-18-2-4-19(5-3-18)6-7-20-8-10-21(11-9-20)12-13-22-14-16-23(17-15-22)24(25)26/h2-17H,1H3/b7-6+,13-12+
InChIKeyWFEDFFJOPWXTKJ-GYIPPJPDSA-N
MW341.41 g/mol
LogP6.24
Rot. Bonds5

About 1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene

1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene (PubChem CID 118944433) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
PubChem CID118944433
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
SMILESCc1ccc(/C=C/c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C23H19NO2/c1-18-2-4-19(5-3-18)6-7-20-8-10-21(11-9-20)12-13-22-14-16-23(17-15-22)24(25)26/h2-17H,1H3/b7-6+,13-12+
InChIKeyWFEDFFJOPWXTKJ-GYIPPJPDSA-N
XLogP6.24
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(1E,4E)-1-(4-methylphenyl)-5-(4-nitrophenyl)penta-1,4-dien-3-one
CID 13188494
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
5-methyl-2-[5-[(E)-2-(4-nitrophenyl)ethenyl]-2-pyridinyl]pyridine
CID 44552298
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
1-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoxy]benzene
CID 6377413
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
1-methyl-4-nitrobenzene tritetrafluoroborate
CID 175186870
2,6-dimethyl-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740583
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene?
The IUPAC name of 1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene (CID 118944433) is 1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene is Cc1ccc(/C=C/c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1.
What is the InChIKey of 1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene?
The InChIKey is WFEDFFJOPWXTKJ-GYIPPJPDSA-N. The full InChI is InChI=1S/C23H19NO2/c1-18-2-4-19(5-3-18)6-7-20-8-10-21(11-9-20)12-13-22-14-16-23(17-15-22)24(25)26/h2-17H,1H3/b7-6+,13-12+.
What are the key properties of 1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene?
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene has a molecular weight of 341.41 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 118944433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).