[8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate

C14H10N2Se2 — CID 134896830

IUPAC[8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate
SMILESN#C[Se]Cc1cccc2cccc(C[Se]C#N)c12
InChIInChI=1S/C14H10N2Se2/c15-9-17-7-12-5-1-3-11-4-2-6-13(14(11)12)8-18-10-16/h1-6H,7-8H2
InChIKeyUTXUZHWQQABMHO-UHFFFAOYSA-N
MW364.17 g/mol
LogP2.21
Rot. Bonds4

About [8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate

[8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate (PubChem CID 134896830) has the molecular formula C14H10N2Se2 and a molecular weight of 364.17 g/mol. Its IUPAC name is [8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate.

Molecular Properties

Compound Name[8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate
PubChem CID134896830
Molecular FormulaC14H10N2Se2
Molecular Weight364.17 g/mol
Exact Mass365.92
IUPAC Name[8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate
SMILESN#C[Se]Cc1cccc2cccc(C[Se]C#N)c12
InChIInChI=1S/C14H10N2Se2/c15-9-17-7-12-5-1-3-11-4-2-6-13(14(11)12)8-18-10-16/h1-6H,7-8H2
InChIKeyUTXUZHWQQABMHO-UHFFFAOYSA-N
XLogP2.21
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate?
The IUPAC name of [8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate (CID 134896830) is [8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate.
What is the SMILES notation for [8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate?
The canonical SMILES for [8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate is N#C[Se]Cc1cccc2cccc(C[Se]C#N)c12.
What is the InChIKey of [8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate?
The InChIKey is UTXUZHWQQABMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2Se2/c15-9-17-7-12-5-1-3-11-4-2-6-13(14(11)12)8-18-10-16/h1-6H,7-8H2.
What are the key properties of [8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate?
[8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate has a molecular weight of 364.17 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(selenocyanatomethyl)naphthalen-1-yl]methyl selenocyanate is sourced from PubChem (CID 134896830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).