1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene

C33H32F2 — CID 67950330

IUPAC1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene
SMILESCCCCc1ccc(-c2ccc(-c3ccc(/C(F)=C(\F)c4ccc(C)cc4)cc3)cc2CC)cc1
InChIInChI=1S/C33H32F2/c1-4-6-7-24-10-14-27(15-11-24)31-21-20-30(22-25(31)5-2)26-16-18-29(19-17-26)33(35)32(34)28-12-8-23(3)9-13-28/h8-22H,4-7H2,1-3H3/b33-32+
InChIKeyYFICDCBDMCVPFG-ULIFNZDWSA-N
MW466.62 g/mol
LogP10.00
Rot. Bonds8

About 1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene

1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene (PubChem CID 67950330) has the molecular formula C33H32F2 and a molecular weight of 466.62 g/mol. Its IUPAC name is 1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene.

Molecular Properties

Compound Name1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene
PubChem CID67950330
Molecular FormulaC33H32F2
Molecular Weight466.62 g/mol
Exact Mass466.25
IUPAC Name1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene
SMILESCCCCc1ccc(-c2ccc(-c3ccc(/C(F)=C(\F)c4ccc(C)cc4)cc3)cc2CC)cc1
InChIInChI=1S/C33H32F2/c1-4-6-7-24-10-14-27(15-11-24)31-21-20-30(22-25(31)5-2)26-16-18-29(19-17-26)33(35)32(34)28-12-8-23(3)9-13-28/h8-22H,4-7H2,1-3H3/b33-32+
InChIKeyYFICDCBDMCVPFG-ULIFNZDWSA-N
XLogP10.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.62
LogP ≤ 510.00
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

2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 142281639
3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol
CID 139457480
1-(4-butylphenyl)-4-[4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]phenyl]-2-propylbenzene
CID 158517315
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol
CID 118150545
1-[2-(4-butylphenyl)ethynyl]-4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-2-ethylbenzene
CID 161041232
4-[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]butan-1-ol;2-[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]ethanol;[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]methanol;5-[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]pentan-1-ol;3-[3-ethyl-4-[3-ethyl-4-(4-hexylphenyl)phenyl]phenyl]propan-1-ol;4-[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]butan-1-ol;2-[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]ethanol;[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]methanol;5-[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]pentan-1-ol;3-[4-[2-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol
CID 159856324
1-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]-4-(4-ethylphenyl)benzene
CID 139790656
2-[4-[2-ethyl-4-(4-hexylphenyl)phenyl]phenoxy]ethanol
CID 163793056
4-[4-(4-butylphenyl)-3-methylphenyl]phenol
CID 71093934
1-butyl-4-[4-[4-[4-(4-butylphenyl)-3-propylphenyl]phenyl]phenyl]-2-propylbenzene
CID 123979323
2-ethyl-1,4-bis(4-ethylphenyl)benzene
CID 157074789

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene?
The IUPAC name of 1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene (CID 67950330) is 1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene.
What is the SMILES notation for 1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene?
The canonical SMILES for 1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene is CCCCc1ccc(-c2ccc(-c3ccc(/C(F)=C(\F)c4ccc(C)cc4)cc3)cc2CC)cc1.
What is the InChIKey of 1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene?
The InChIKey is YFICDCBDMCVPFG-ULIFNZDWSA-N. The full InChI is InChI=1S/C33H32F2/c1-4-6-7-24-10-14-27(15-11-24)31-21-20-30(22-25(31)5-2)26-16-18-29(19-17-26)33(35)32(34)28-12-8-23(3)9-13-28/h8-22H,4-7H2,1-3H3/b33-32+.
What are the key properties of 1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene?
1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene has a molecular weight of 466.62 g/mol, XLogP of 10.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-4-[4-[(E)-1,2-difluoro-2-(4-methylphenyl)ethenyl]phenyl]-2-ethylbenzene is sourced from PubChem (CID 67950330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).