1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene

C20H14BrNO2 — CID 67496997

IUPAC1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(/C=C(\c2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H14BrNO2/c21-18-10-8-17(9-11-18)20(16-4-2-1-3-5-16)14-15-6-12-19(13-7-15)22(23)24/h1-14H/b20-14+
InChIKeyBAOCHIWSLLUULT-XSFVSMFZSA-N
MW380.24 g/mol
LogP5.95
Rot. Bonds4

About 1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene

1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene (PubChem CID 67496997) has the molecular formula C20H14BrNO2 and a molecular weight of 380.24 g/mol. Its IUPAC name is 1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene.

Molecular Properties

Compound Name1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene
PubChem CID67496997
Molecular FormulaC20H14BrNO2
Molecular Weight380.24 g/mol
Exact Mass379.02
IUPAC Name1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(/C=C(\c2ccccc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H14BrNO2/c21-18-10-8-17(9-11-18)20(16-4-2-1-3-5-16)14-15-6-12-19(13-7-15)22(23)24/h1-14H/b20-14+
InChIKeyBAOCHIWSLLUULT-XSFVSMFZSA-N
XLogP5.95
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.24
LogP ≤ 55.95
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

2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100524
1,8-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100515
4,4,5,5-tetramethyl-2-[4-[2-(4-nitrophenyl)-1-phenylethenyl]phenyl]-1,3,2-dioxaborolane
CID 67497421
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-(1,2,2-triphenylethenyl)benzene
CID 122387898
4-[2-(4-bromophenyl)-1-(4-hydroxyphenyl)ethenyl]phenol
CID 14065280
N-[(Z)-3-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]anilino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22787745
1-bromo-4-nitrobenzene;ethane
CID 91498714
(E)-1-(4-bromophenyl)-3-(2-hydroxyphenyl)-2-(4-nitrophenoxy)prop-2-en-1-one
CID 10741745
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
1-bromo-4-[(E)-2-bromo-1-phenylethenyl]benzene
CID 44719904
carbonic acid;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 175319577

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene?
The IUPAC name of 1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene (CID 67496997) is 1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene.
What is the SMILES notation for 1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene?
The canonical SMILES for 1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene is O=[N+]([O-])c1ccc(/C=C(\c2ccccc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene?
The InChIKey is BAOCHIWSLLUULT-XSFVSMFZSA-N. The full InChI is InChI=1S/C20H14BrNO2/c21-18-10-8-17(9-11-18)20(16-4-2-1-3-5-16)14-15-6-12-19(13-7-15)22(23)24/h1-14H/b20-14+.
What are the key properties of 1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene?
1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene has a molecular weight of 380.24 g/mol, XLogP of 5.95, 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-bromophenyl)-2-phenylethenyl]-4-nitrobenzene is sourced from PubChem (CID 67496997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).