5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene

C30H36 — CID 54225098

IUPAC5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene
SMILESCCCCc1ccc(-c2ccc(C=Cc3c(C)cc(C(C)CC)cc3C)cc2)cc1
InChIInChI=1S/C30H36/c1-6-8-9-25-10-15-27(16-11-25)28-17-12-26(13-18-28)14-19-30-23(4)20-29(21-24(30)5)22(3)7-2/h10-22H,6-9H2,1-5H3
InChIKeyQFHIFLJASDMCJX-UHFFFAOYSA-N
MW396.62 g/mol
LogP9.00
Rot. Bonds8

About 5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene

5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene (PubChem CID 54225098) has the molecular formula C30H36 and a molecular weight of 396.62 g/mol. Its IUPAC name is 5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene
PubChem CID54225098
Molecular FormulaC30H36
Molecular Weight396.62 g/mol
Exact Mass396.28
IUPAC Name5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene
SMILESCCCCc1ccc(-c2ccc(C=Cc3c(C)cc(C(C)CC)cc3C)cc2)cc1
InChIInChI=1S/C30H36/c1-6-8-9-25-10-15-27(16-11-25)28-17-12-26(13-18-28)14-19-30-23(4)20-29(21-24(30)5)22(3)7-2/h10-22H,6-9H2,1-5H3
InChIKeyQFHIFLJASDMCJX-UHFFFAOYSA-N
XLogP9.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 59.00
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-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene
CID 118528142
3,4-difluoro-1-methyl-5-(4-pentylphenyl)-2-[(E)-2-(4-propylphenyl)ethenyl]benzene
CID 59592220
1-butyl-4-[(E)-2-phenylethenyl]benzene
CID 100931442
1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene
CID 21052564
2-[(E)-2-(4-ethylphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 147588244
1-butyl-4-[2-[4-[4-[2-(4-butylphenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
CID 72543235
1-butyl-4-[2-[4-[2-[4-[2-(4-butylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 72534288
5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene
CID 123525703
1-butyl-4-[4-(prop-2-enoxymethyl)phenyl]benzene
CID 67893959
1-butan-2-yl-4-[3-(3-methylphenyl)propyl]benzene
CID 123139231
1,2,3-trimethyl-5-[4-(4-pentylphenyl)phenyl]benzene
CID 20683488
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene?
The IUPAC name of 5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene (CID 54225098) is 5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene.
What is the SMILES notation for 5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene?
The canonical SMILES for 5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene is CCCCc1ccc(-c2ccc(C=Cc3c(C)cc(C(C)CC)cc3C)cc2)cc1.
What is the InChIKey of 5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene?
The InChIKey is QFHIFLJASDMCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36/c1-6-8-9-25-10-15-27(16-11-25)28-17-12-26(13-18-28)14-19-30-23(4)20-29(21-24(30)5)22(3)7-2/h10-22H,6-9H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene?
5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene has a molecular weight of 396.62 g/mol, XLogP of 9.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-dimethylbenzene is sourced from PubChem (CID 54225098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).