1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene

C32H30Br2 — CID 90916342

IUPAC1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene
SMILESCC(C)(C)c1ccc(C(Cc2ccc(C=Cc3ccc(Br)cc3)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C32H30Br2/c1-32(2,3)28-16-12-26(13-17-28)31(27-14-20-30(34)21-15-27)22-25-8-6-23(7-9-25)4-5-24-10-18-29(33)19-11-24/h4-21,31H,22H2,1-3H3
InChIKeyUJSZAWVQQYJXDR-UHFFFAOYSA-N
MW574.40 g/mol
LogP10.05
Rot. Bonds6

About 1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene

1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene (PubChem CID 90916342) has the molecular formula C32H30Br2 and a molecular weight of 574.40 g/mol. Its IUPAC name is 1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene
PubChem CID90916342
Molecular FormulaC32H30Br2
Molecular Weight574.40 g/mol
Exact Mass572.07
IUPAC Name1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene
SMILESCC(C)(C)c1ccc(C(Cc2ccc(C=Cc3ccc(Br)cc3)cc2)c2ccc(Br)cc2)cc1
InChIInChI=1S/C32H30Br2/c1-32(2,3)28-16-12-26(13-17-28)31(27-14-20-30(34)21-15-27)22-25-8-6-23(7-9-25)4-5-24-10-18-29(33)19-11-24/h4-21,31H,22H2,1-3H3
InChIKeyUJSZAWVQQYJXDR-UHFFFAOYSA-N
XLogP10.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.40
LogP ≤ 510.05
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

1,3,5-Tri(4-bromophenyl)benzene
CID 232761
4-Bromo-p-terphenyl
CID 11012297
4,4''-Dibromo-p-terphenyl
CID 12455998
4-Bromo-4'-pentylbiphenyl
CID 618709
2'-Bromo-5'-phenyl-1,1':3',1''-terphenyl
CID 292152
Tetrakis(4-bromophenyl)ethylene
CID 11828419
4-Bromo-4'-(tert-butyl)biphenyl
CID 9971389
Tetrakis(4-bromophenyl)methane
CID 11250692
1-Bromo-4-(trans-4-pentylcyclohexyl)benzene
CID 3827903
1,1',1''-[2-(4-Bromophenyl)ethene-1,1,2-triyl]tribenzene
CID 24882208
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

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene?
The IUPAC name of 1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene (CID 90916342) is 1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene.
What is the SMILES notation for 1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene?
The canonical SMILES for 1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene is CC(C)(C)c1ccc(C(Cc2ccc(C=Cc3ccc(Br)cc3)cc2)c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene?
The InChIKey is UJSZAWVQQYJXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Br2/c1-32(2,3)28-16-12-26(13-17-28)31(27-14-20-30(34)21-15-27)22-25-8-6-23(7-9-25)4-5-24-10-18-29(33)19-11-24/h4-21,31H,22H2,1-3H3.
What are the key properties of 1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene?
1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene has a molecular weight of 574.40 g/mol, XLogP of 10.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-[4-[2-(4-bromophenyl)ethenyl]phenyl]-1-(4-tert-butylphenyl)ethyl]benzene is sourced from PubChem (CID 90916342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).