(6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene

C28H32 — CID 71375479

IUPAC(6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene
SMILESCCC(C)(C)CC(=C(CCc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32/c1-4-28(2,3)22-27(25-18-12-7-13-19-25)26(24-16-10-6-11-17-24)21-20-23-14-8-5-9-15-23/h5-19H,4,20-22H2,1-3H3
InChIKeyWOEXJKAATTUDDW-UHFFFAOYSA-N
MW368.56 g/mol
LogP8.06
Rot. Bonds8

About (6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene

(6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene (PubChem CID 71375479) has the molecular formula C28H32 and a molecular weight of 368.56 g/mol. Its IUPAC name is (6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene.

Molecular Properties

Compound Name(6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene
PubChem CID71375479
Molecular FormulaC28H32
Molecular Weight368.56 g/mol
Exact Mass368.25
IUPAC Name(6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene
SMILESCCC(C)(C)CC(=C(CCc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32/c1-4-28(2,3)22-27(25-18-12-7-13-19-25)26(24-16-10-6-11-17-24)21-20-23-14-8-5-9-15-23/h5-19H,4,20-22H2,1-3H3
InChIKeyWOEXJKAATTUDDW-UHFFFAOYSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 58.06
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

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CID 143079929
azane;2,2-dimethylbutylbenzene
CID 175285583
(Z)-N-[(E)-1,3-diphenylpropylideneamino]-1,3-diphenylpropan-1-imine
CID 6370993
N-(2-aminoethyl)-3,3-dimethyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120886571
tert-butyl (Z)-3,5-diphenylpent-2-enoate
CID 118672322
(2-ethyl-2-methylbutyl)benzene
CID 123641908
5-hydroxy-1,5-diphenylhexan-3-one
CID 46888754
4,4-dimethyl-7-phenylheptane-2,5-dione
CID 166439938
3,3-dimethyl-5-phenylpentanoic acid;ethane;propane
CID 142907500
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
CID 69277375

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene?
The IUPAC name of (6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene (CID 71375479) is (6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene.
What is the SMILES notation for (6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene?
The canonical SMILES for (6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene is CCC(C)(C)CC(=C(CCc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene?
The InChIKey is WOEXJKAATTUDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32/c1-4-28(2,3)22-27(25-18-12-7-13-19-25)26(24-16-10-6-11-17-24)21-20-23-14-8-5-9-15-23/h5-19H,4,20-22H2,1-3H3.
What are the key properties of (6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene?
(6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene has a molecular weight of 368.56 g/mol, XLogP of 8.06, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-1,4-diphenyloct-3-en-3-yl)benzene is sourced from PubChem (CID 71375479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).