1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene

C18H18Se2 — CID 102511686

IUPAC1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene
SMILESC=CC([Se][Se]C(C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18Se2/c1-3-17(15-11-7-5-8-12-15)19-20-18(4-2)16-13-9-6-10-14-16/h3-14,17-18H,1-2H2
InChIKeyBVNVLHUPJCAPGC-UHFFFAOYSA-N
MW392.26 g/mol
LogP4.16
Rot. Bonds7

About 1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene

1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene (PubChem CID 102511686) has the molecular formula C18H18Se2 and a molecular weight of 392.26 g/mol. Its IUPAC name is 1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene.

Molecular Properties

Compound Name1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene
PubChem CID102511686
Molecular FormulaC18H18Se2
Molecular Weight392.26 g/mol
Exact Mass393.97
IUPAC Name1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene
SMILESC=CC([Se][Se]C(C=C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18Se2/c1-3-17(15-11-7-5-8-12-15)19-20-18(4-2)16-13-9-6-10-14-16/h3-14,17-18H,1-2H2
InChIKeyBVNVLHUPJCAPGC-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286
1-methoxyprop-2-enylbenzene
CID 11029990
1-phenoxyprop-2-enylbenzene
CID 11735962
[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
benzene;1-phenylprop-2-en-1-ol
CID 174884403
CID 147982953
CID 147982953
1-phenylprop-2-enyloxidanium
CID 135026196
1-iodoprop-2-enylbenzene
CID 21195039
1-chloroprop-2-enylbenzene
CID 11768772
2-phenylbut-3-en-1-amine;hydrochloride
CID 23037991
1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
CID 87154627

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene?
The IUPAC name of 1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene (CID 102511686) is 1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene.
What is the SMILES notation for 1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene?
The canonical SMILES for 1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene is C=CC([Se][Se]C(C=C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene?
The InChIKey is BVNVLHUPJCAPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Se2/c1-3-17(15-11-7-5-8-12-15)19-20-18(4-2)16-13-9-6-10-14-16/h3-14,17-18H,1-2H2.
What are the key properties of 1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene?
1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene has a molecular weight of 392.26 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene is sourced from PubChem (CID 102511686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).