1-phenylseleninylnaphthalene

C16H12OSe — CID 11844373

IUPAC1-phenylseleninylnaphthalene
SMILESO=[Se](c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C16H12OSe/c17-18(14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H
InChIKeyAEKQJJHANFUTLB-UHFFFAOYSA-N
MW299.23 g/mol
LogP2.38
Rot. Bonds2

About 1-phenylseleninylnaphthalene

1-phenylseleninylnaphthalene (PubChem CID 11844373) has the molecular formula C16H12OSe and a molecular weight of 299.23 g/mol. Its IUPAC name is 1-phenylseleninylnaphthalene.

Molecular Properties

Compound Name1-phenylseleninylnaphthalene
PubChem CID11844373
Molecular FormulaC16H12OSe
Molecular Weight299.23 g/mol
Exact Mass300.01
IUPAC Name1-phenylseleninylnaphthalene
SMILESO=[Se](c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C16H12OSe/c17-18(14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H
InChIKeyAEKQJJHANFUTLB-UHFFFAOYSA-N
XLogP2.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzylseleninylnaphthalene
CID 156697909
N,N-dimethyl-8-phenylseleninylnaphthalen-1-amine
CID 15456274
CID 70261481
CID 70261481
chrysene;iron
CID 157379031
phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
benzene;ethane;methane;naphthalene;perylene;phenanthrene
CID 158942771
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
CID 174430147
CID 174430147
carbonic acid;1-methylnaphthalene
CID 66808059
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897

Frequently Asked Questions

What is the IUPAC name of 1-phenylseleninylnaphthalene?
The IUPAC name of 1-phenylseleninylnaphthalene (CID 11844373) is 1-phenylseleninylnaphthalene.
What is the SMILES notation for 1-phenylseleninylnaphthalene?
The canonical SMILES for 1-phenylseleninylnaphthalene is O=[Se](c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-phenylseleninylnaphthalene?
The InChIKey is AEKQJJHANFUTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12OSe/c17-18(14-9-2-1-3-10-14)16-12-6-8-13-7-4-5-11-15(13)16/h1-12H.
What are the key properties of 1-phenylseleninylnaphthalene?
1-phenylseleninylnaphthalene has a molecular weight of 299.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylseleninylnaphthalene is sourced from PubChem (CID 11844373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).