1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene

C34H25NO2 — CID 122387898

IUPAC1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C34H25NO2/c36-35(37)32-24-20-27(21-25-32)17-16-26-18-22-31(23-19-26)34(30-14-8-3-9-15-30)33(28-10-4-1-5-11-28)29-12-6-2-7-13-29/h1-25H/b17-16+
InChIKeyZIEJZSSWJNJYHJ-WUKNDPDISA-N
MW479.58 g/mol
LogP8.77
Rot. Bonds7

About 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene

1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene (PubChem CID 122387898) has the molecular formula C34H25NO2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene.

Molecular Properties

Compound Name1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
PubChem CID122387898
Molecular FormulaC34H25NO2
Molecular Weight479.58 g/mol
Exact Mass479.19
IUPAC Name1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C34H25NO2/c36-35(37)32-24-20-27(21-25-32)17-16-26-18-22-31(23-19-26)34(30-14-8-3-9-15-30)33(28-10-4-1-5-11-28)29-12-6-2-7-13-29/h1-25H/b17-16+
InChIKeyZIEJZSSWJNJYHJ-WUKNDPDISA-N
XLogP8.77
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 58.77
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

1-[(E)-2-(4-nitrophenyl)ethenyl]-4-[(E)-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]benzene
CID 122387900
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100524
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
1,8-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100515
N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 13000099
9,10-bis[(E)-2-(4-nitrophenyl)ethenyl]anthracene
CID 15074034
(1E,4E)-1-(4-nitrophenyl)-5-phenylpenta-1,4-dien-3-ol
CID 23263853
(4-nitrophenyl)methyl 4-[(E)-2-phenylethenyl]benzoate
CID 50888339
1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene
CID 67496997
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577
1-[(E)-2-hydroxysulfanylethenyl]-4-nitrobenzene
CID 143668181

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene?
The IUPAC name of 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene (CID 122387898) is 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene.
What is the SMILES notation for 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene?
The canonical SMILES for 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene is O=[N+]([O-])c1ccc(/C=C/c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene?
The InChIKey is ZIEJZSSWJNJYHJ-WUKNDPDISA-N. The full InChI is InChI=1S/C34H25NO2/c36-35(37)32-24-20-27(21-25-32)17-16-26-18-22-31(23-19-26)34(30-14-8-3-9-15-30)33(28-10-4-1-5-11-28)29-12-6-2-7-13-29/h1-25H/b17-16+.
What are the key properties of 1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene?
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-(1,2,2-triphenylethenyl)benzene has a molecular weight of 479.58 g/mol, XLogP of 8.77, 7 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-(1,2,2-triphenylethenyl)benzene is sourced from PubChem (CID 122387898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).