1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene

C26H16Br4 — CID 11828419

IUPAC1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
SMILESBrc1ccc(C(=C(c2ccc(Br)cc2)c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C26H16Br4/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16H
InChIKeyBIRLDGKMJJEZRI-UHFFFAOYSA-N
MW648.03 g/mol
LogP9.74
Rot. Bonds4

About 1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene

1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene (PubChem CID 11828419) has the molecular formula C26H16Br4 and a molecular weight of 648.03 g/mol. Its IUPAC name is 1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
PubChem CID11828419
Molecular FormulaC26H16Br4
Molecular Weight648.03 g/mol
Exact Mass643.80
IUPAC Name1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
SMILESBrc1ccc(C(=C(c2ccc(Br)cc2)c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C26H16Br4/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16H
InChIKeyBIRLDGKMJJEZRI-UHFFFAOYSA-N
XLogP9.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.03
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-bromophenyl)-1,2-diphenylethenyl]phenol
CID 141454768
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
azane;1,4-dibromobenzene
CID 175259215
4-bromobenzoic acid;copper
CID 67824318
2,2,2-tribromo-1-(4-bromophenyl)ethanone
CID 13089840
2-(4-bromophenyl)-2-oxoacetyl bromide
CID 57469239
(1Z)-4-bromo-N-hydroxybenzenecarboximidoyl bromide
CID 22103714
1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene
CID 6376326
1-bromo-4-but-2-en-2-ylbenzene
CID 72775371

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene?
The IUPAC name of 1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene (CID 11828419) is 1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene.
What is the SMILES notation for 1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene?
The canonical SMILES for 1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene is Brc1ccc(C(=C(c2ccc(Br)cc2)c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene?
The InChIKey is BIRLDGKMJJEZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Br4/c27-21-9-1-17(2-10-21)25(18-3-11-22(28)12-4-18)26(19-5-13-23(29)14-6-19)20-7-15-24(30)16-8-20/h1-16H.
What are the key properties of 1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene?
1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene has a molecular weight of 648.03 g/mol, XLogP of 9.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene is sourced from PubChem (CID 11828419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).