4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol

C26H19BrO — CID 141454768

IUPAC4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol
SMILESOc1ccc(C(=C(c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H19BrO/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18,28H
InChIKeyLSJFZGWVQMEGTG-UHFFFAOYSA-N
MW427.34 g/mol
LogP7.16
Rot. Bonds4

About 4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol

4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol (PubChem CID 141454768) has the molecular formula C26H19BrO and a molecular weight of 427.34 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol
PubChem CID141454768
Molecular FormulaC26H19BrO
Molecular Weight427.34 g/mol
Exact Mass426.06
IUPAC Name4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol
SMILESOc1ccc(C(=C(c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H19BrO/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18,28H
InChIKeyLSJFZGWVQMEGTG-UHFFFAOYSA-N
XLogP7.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.34
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

phenol;1,2,2-triphenylethenylbenzene
CID 159416986
1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
CID 11828419
N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline
CID 132556766
1-bromo-4-[4-[2-[4-(4-bromophenoxy)phenyl]-1,2-diphenylethenyl]phenoxy]benzene
CID 156703039
1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene
CID 15039495
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
4-[2-[4-(hydroxymethyl)phenyl]-1-(4-hydroxyphenyl)-2-phenylethenyl]phenol
CID 175920876
CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
1-bromo-4-[(E)-2-bromo-1-phenylethenyl]benzene
CID 44719904
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol?
The IUPAC name of 4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol (CID 141454768) is 4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol.
What is the SMILES notation for 4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol?
The canonical SMILES for 4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol is Oc1ccc(C(=C(c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol?
The InChIKey is LSJFZGWVQMEGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrO/c27-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(28)18-14-22/h1-18,28H.
What are the key properties of 4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol?
4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol has a molecular weight of 427.34 g/mol, XLogP of 7.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol is sourced from PubChem (CID 141454768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).