1-(benzylselanylmethyl)naphthalene

C18H16Se — CID 154058407

IUPAC1-(benzylselanylmethyl)naphthalene
SMILESc1ccc(C[Se]Cc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16Se/c1-2-7-15(8-3-1)13-19-14-17-11-6-10-16-9-4-5-12-18(16)17/h1-12H,13-14H2
InChIKeyLHKVNRGSKLJXTN-UHFFFAOYSA-N
MW311.29 g/mol
LogP4.24
Rot. Bonds4

About 1-(benzylselanylmethyl)naphthalene

1-(benzylselanylmethyl)naphthalene (PubChem CID 154058407) has the molecular formula C18H16Se and a molecular weight of 311.29 g/mol. Its IUPAC name is 1-(benzylselanylmethyl)naphthalene.

Molecular Properties

Compound Name1-(benzylselanylmethyl)naphthalene
PubChem CID154058407
Molecular FormulaC18H16Se
Molecular Weight311.29 g/mol
Exact Mass312.04
IUPAC Name1-(benzylselanylmethyl)naphthalene
SMILESc1ccc(C[Se]Cc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16Se/c1-2-7-15(8-3-1)13-19-14-17-11-6-10-16-9-4-5-12-18(16)17/h1-12H,13-14H2
InChIKeyLHKVNRGSKLJXTN-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(phenylselanylmethyl)naphthalene
CID 12681932
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
CID 66760372
CID 66760372
1-(2-phenylmethoxyethyl)naphthalene
CID 71507589
CID 57419547
CID 57419547
1-(trifluoromethylsulfanylmethyl)naphthalene
CID 138971770
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
1-(naphthalen-1-ylmethyl)-2-(4-phenylbutyl)hydrazine
CID 91166982
N,N'-dibenzyl-N,N'-bis(naphthalen-1-ylmethyl)but-2-ene-1,4-diamine
CID 72747626
1-(2-methyl-2-phenylpropyl)naphthalene
CID 86035126
azane;1-ethylnaphthalene
CID 19048185

Frequently Asked Questions

What is the IUPAC name of 1-(benzylselanylmethyl)naphthalene?
The IUPAC name of 1-(benzylselanylmethyl)naphthalene (CID 154058407) is 1-(benzylselanylmethyl)naphthalene.
What is the SMILES notation for 1-(benzylselanylmethyl)naphthalene?
The canonical SMILES for 1-(benzylselanylmethyl)naphthalene is c1ccc(C[Se]Cc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(benzylselanylmethyl)naphthalene?
The InChIKey is LHKVNRGSKLJXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Se/c1-2-7-15(8-3-1)13-19-14-17-11-6-10-16-9-4-5-12-18(16)17/h1-12H,13-14H2.
What are the key properties of 1-(benzylselanylmethyl)naphthalene?
1-(benzylselanylmethyl)naphthalene has a molecular weight of 311.29 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylselanylmethyl)naphthalene is sourced from PubChem (CID 154058407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).