1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene

C50H32Br4 — CID 156698229

IUPAC1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene
SMILESBrc1cccc(-c2ccc(C(=C(c3ccc(-c4cccc(Br)c4)cc3)c3ccc(-c4cccc(Br)c4)cc3)c3ccc(-c4cccc(Br)c4)cc3)cc2)c1
InChIInChI=1S/C50H32Br4/c51-45-9-1-5-41(29-45)33-13-21-37(22-14-33)49(38-23-15-34(16-24-38)42-6-2-10-46(52)30-42)50(39-25-17-35(18-26-39)43-7-3-11-47(53)31-43)40-27-19-36(20-28-40)44-8-4-12-48(54)32-44/h1-32H
InChIKeyZIIXXJDETRWRKY-UHFFFAOYSA-N
MW952.42 g/mol
LogP16.41
Rot. Bonds8

About 1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene

1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene (PubChem CID 156698229) has the molecular formula C50H32Br4 and a molecular weight of 952.42 g/mol. Its IUPAC name is 1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene
PubChem CID156698229
Molecular FormulaC50H32Br4
Molecular Weight952.42 g/mol
Exact Mass947.92
IUPAC Name1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene
SMILESBrc1cccc(-c2ccc(C(=C(c3ccc(-c4cccc(Br)c4)cc3)c3ccc(-c4cccc(Br)c4)cc3)c3ccc(-c4cccc(Br)c4)cc3)cc2)c1
InChIInChI=1S/C50H32Br4/c51-45-9-1-5-41(29-45)33-13-21-37(22-14-33)49(38-23-15-34(16-24-38)42-6-2-10-46(52)30-42)50(39-25-17-35(18-26-39)43-7-3-11-47(53)31-43)40-27-19-36(20-28-40)44-8-4-12-48(54)32-44/h1-32H
InChIKeyZIIXXJDETRWRKY-UHFFFAOYSA-N
XLogP16.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.42
LogP ≤ 516.41
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

4,4''-Dibromo-p-terphenyl
CID 12455998
Tetrakis(4-bromophenyl)ethylene
CID 11828419
Tetrakis(4-bromophenyl)methane
CID 11250692
10,10'-Dibromo-9,9'-bianthracene
CID 15195999
1,1',1''-[2-(4-Bromophenyl)ethene-1,1,2-triyl]tribenzene
CID 24882208
1-Bromo-3-(4-phenylphenyl)benzene
CID 15329710
1-Bromotriphenyldi(p-tolyl)cyclopenta-2,4-diene
CID 369675
1-(3-Bromo-3,5-bis(4-methylphenyl)-2,4-diphenyl-1,4-cyclopentadien-1-yl)-4-methylbenzene
CID 370269
9-([1,1':3',1''-Terphenyl]-5'-yl)-10-bromoanthracene
CID 23067325
9-(3-Bromophenyl)-10-(naphthalen-2-yl)anthracene
CID 57548957
3-Bromo-3',4',5'-triphenyl-1,1':2',1''-terphenyl
CID 71405867
3,5-Dibromo-1,1':4',1''-terphenyl
CID 90097425

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene?
The IUPAC name of 1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene (CID 156698229) is 1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene.
What is the SMILES notation for 1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene?
The canonical SMILES for 1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene is Brc1cccc(-c2ccc(C(=C(c3ccc(-c4cccc(Br)c4)cc3)c3ccc(-c4cccc(Br)c4)cc3)c3ccc(-c4cccc(Br)c4)cc3)cc2)c1.
What is the InChIKey of 1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene?
The InChIKey is ZIIXXJDETRWRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32Br4/c51-45-9-1-5-41(29-45)33-13-21-37(22-14-33)49(38-23-15-34(16-24-38)42-6-2-10-46(52)30-42)50(39-25-17-35(18-26-39)43-7-3-11-47(53)31-43)40-27-19-36(20-28-40)44-8-4-12-48(54)32-44/h1-32H.
What are the key properties of 1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene?
1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene has a molecular weight of 952.42 g/mol, XLogP of 16.41, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[4-[1,2,2-tris[4-(3-bromophenyl)phenyl]ethenyl]phenyl]benzene is sourced from PubChem (CID 156698229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).