1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene

C20H15NO2 — CID 6242844

IUPAC1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H15NO2/c22-21(23)20-14-10-17(11-15-20)7-6-16-8-12-19(13-9-16)18-4-2-1-3-5-18/h1-15H/b7-6+
InChIKeySGSJRJZPMFPWAV-VOTSOKGWSA-N
MW301.35 g/mol
LogP5.43
Rot. Bonds4

About 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene

1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene (PubChem CID 6242844) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
PubChem CID6242844
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H15NO2/c22-21(23)20-14-10-17(11-15-20)7-6-16-8-12-19(13-9-16)18-4-2-1-3-5-18/h1-15H/b7-6+
InChIKeySGSJRJZPMFPWAV-VOTSOKGWSA-N
XLogP5.43
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.35
LogP ≤ 55.43
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

formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
CID 122387898
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
CID 15074034
2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-4-phenylphenol
CID 6245849
N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-4-phenylbenzohydrazide
CID 26253538
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
1-nitro-4-phenylbenzene;sulfurochloridic acid
CID 23180093
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene?
The IUPAC name of 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene (CID 6242844) is 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene.
What is the SMILES notation for 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene?
The canonical SMILES for 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene is O=[N+]([O-])c1ccc(/C=C/c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene?
The InChIKey is SGSJRJZPMFPWAV-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H15NO2/c22-21(23)20-14-10-17(11-15-20)7-6-16-8-12-19(13-9-16)18-4-2-1-3-5-18/h1-15H/b7-6+.
What are the key properties of 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene?
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene has a molecular weight of 301.35 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene is sourced from PubChem (CID 6242844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).