1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone

C30H26O — CID 177288031

IUPAC1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone
SMILESC=Cc1ccc(C(C)(c2ccc(C=C)cc2)c2cccc3cccc(C(C)=O)c23)cc1
InChIInChI=1S/C30H26O/c1-5-22-13-17-25(18-14-22)30(4,26-19-15-23(6-2)16-20-26)28-12-8-10-24-9-7-11-27(21(3)31)29(24)28/h5-20H,1-2H2,3-4H3
InChIKeyYESQJRNIWYOGFS-UHFFFAOYSA-N
MW402.54 g/mol
LogP7.68
Rot. Bonds6

About 1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone

1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone (PubChem CID 177288031) has the molecular formula C30H26O and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone
PubChem CID177288031
Molecular FormulaC30H26O
Molecular Weight402.54 g/mol
Exact Mass402.20
IUPAC Name1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone
SMILESC=Cc1ccc(C(C)(c2ccc(C=C)cc2)c2cccc3cccc(C(C)=O)c23)cc1
InChIInChI=1S/C30H26O/c1-5-22-13-17-25(18-14-22)30(4,26-19-15-23(6-2)16-20-26)28-12-8-10-24-9-7-11-27(21(3)31)29(24)28/h5-20H,1-2H2,3-4H3
InChIKeyYESQJRNIWYOGFS-UHFFFAOYSA-N
XLogP7.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

8-acetylnaphthalene-1-carbaldehyde
CID 14613312
1-tert-butyl-4-ethenylbenzene
CID 15627
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CID 105467577
1-(5-ethenyl-2-methylphenyl)ethanone
CID 143958265
3-(1,1-diphenylethyl)-2-hydroxybenzoic acid
CID 139751324
1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone
CID 160581245
1-(1,1-difluoroethyl)-4-ethenylbenzene
CID 59554717
1-(2-chloropropan-2-yl)-4-ethenylbenzene
CID 19761581
N-[2-(2-acetylphenyl)propan-2-yl]prop-2-enamide;hydrochloride
CID 174385229
1-phenylethanone;styrene
CID 19811140
3-(2-acetylphenyl)-3-methylbutan-2-one
CID 90248723
2-(3-acetyl-2-hydroxyphenyl)-2-methylpropanethial;ethane
CID 143162439

Frequently Asked Questions

What is the IUPAC name of 1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone?
The IUPAC name of 1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone (CID 177288031) is 1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone.
What is the SMILES notation for 1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone?
The canonical SMILES for 1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone is C=Cc1ccc(C(C)(c2ccc(C=C)cc2)c2cccc3cccc(C(C)=O)c23)cc1.
What is the InChIKey of 1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone?
The InChIKey is YESQJRNIWYOGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O/c1-5-22-13-17-25(18-14-22)30(4,26-19-15-23(6-2)16-20-26)28-12-8-10-24-9-7-11-27(21(3)31)29(24)28/h5-20H,1-2H2,3-4H3.
What are the key properties of 1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone?
1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone has a molecular weight of 402.54 g/mol, XLogP of 7.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[1,1-bis(4-ethenylphenyl)ethyl]naphthalen-1-yl]ethanone is sourced from PubChem (CID 177288031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).