1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene

C28H23BrO2 — CID 129233901

IUPAC1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene
SMILESCOc1ccc(C(=C(c2ccccc2)c2ccc(Br)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H23BrO2/c1-30-25-16-10-22(11-17-25)28(23-12-18-26(31-2)19-13-23)27(20-6-4-3-5-7-20)21-8-14-24(29)15-9-21/h3-19H,1-2H3
InChIKeyBJKMDFNULRPYFG-UHFFFAOYSA-N
MW471.39 g/mol
LogP7.47
Rot. Bonds6

About 1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene

1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene (PubChem CID 129233901) has the molecular formula C28H23BrO2 and a molecular weight of 471.39 g/mol. Its IUPAC name is 1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene.

Molecular Properties

Compound Name1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene
PubChem CID129233901
Molecular FormulaC28H23BrO2
Molecular Weight471.39 g/mol
Exact Mass470.09
IUPAC Name1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene
SMILESCOc1ccc(C(=C(c2ccccc2)c2ccc(Br)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H23BrO2/c1-30-25-16-10-22(11-17-25)28(23-12-18-26(31-2)19-13-23)27(20-6-4-3-5-7-20)21-8-14-24(29)15-9-21/h3-19H,1-2H3
InChIKeyBJKMDFNULRPYFG-UHFFFAOYSA-N
XLogP7.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.39
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4',4''-(1-Vinyl-2-ylidene)trianisole
CID 81543
3-Bromo-4-methoxybiphenyl
CID 262267
4-Bromo-4'-methoxybiphenyl
CID 4034005
1,1',1'',1'''-(1,2-Ethenediylidene)tetrakis(4-methoxybenzene)
CID 24797
3-Bromo-4'-methoxybiphenyl
CID 2757035
1-(Cyclohexylidene(4-methoxyphenyl)methyl)-4-methoxybenzene
CID 82458
Benzene, 1-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-3-(4-methoxyphenoxy)-
CID 3067146
Benzene, 1-(4-bromophenoxy)-3-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-
CID 3067170
Benzene, 1-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067209
2-(1-Adamantyl)-5-bromoanisole
CID 53814882
1-Bromo-4-(2-phenoxyethyl)benzene
CID 57340734
1,2-Diphenyl-1-(p-methoxyphenyl)ethylene
CID 5378269

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene?
The IUPAC name of 1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene (CID 129233901) is 1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene.
What is the SMILES notation for 1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene?
The canonical SMILES for 1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene is COc1ccc(C(=C(c2ccccc2)c2ccc(Br)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene?
The InChIKey is BJKMDFNULRPYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23BrO2/c1-30-25-16-10-22(11-17-25)28(23-12-18-26(31-2)19-13-23)27(20-6-4-3-5-7-20)21-8-14-24(29)15-9-21/h3-19H,1-2H3.
What are the key properties of 1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene?
1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene has a molecular weight of 471.39 g/mol, XLogP of 7.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]-4-bromobenzene is sourced from PubChem (CID 129233901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).