10-benzylphenoselenazine

C19H15NSe — CID 21409567

IUPAC10-benzylphenoselenazine
SMILESc1ccc(CN2c3ccccc3[Se]c3ccccc32)cc1
InChIInChI=1S/C19H15NSe/c1-2-8-15(9-3-1)14-20-16-10-4-6-12-18(16)21-19-13-7-5-11-17(19)20/h1-13H,14H2
InChIKeyUTPBGDQSYKLMKF-UHFFFAOYSA-N
MW336.30 g/mol
LogP2.99
Rot. Bonds2

About 10-benzylphenoselenazine

10-benzylphenoselenazine (PubChem CID 21409567) has the molecular formula C19H15NSe and a molecular weight of 336.30 g/mol. Its IUPAC name is 10-benzylphenoselenazine.

Molecular Properties

Compound Name10-benzylphenoselenazine
PubChem CID21409567
Molecular FormulaC19H15NSe
Molecular Weight336.30 g/mol
Exact Mass337.04
IUPAC Name10-benzylphenoselenazine
SMILESc1ccc(CN2c3ccccc3[Se]c3ccccc32)cc1
InChIInChI=1S/C19H15NSe/c1-2-8-15(9-3-1)14-20-16-10-4-6-12-18(16)21-19-13-7-5-11-17(19)20/h1-13H,14H2
InChIKeyUTPBGDQSYKLMKF-UHFFFAOYSA-N
XLogP2.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 10-benzylphenoselenazine?
The IUPAC name of 10-benzylphenoselenazine (CID 21409567) is 10-benzylphenoselenazine.
What is the SMILES notation for 10-benzylphenoselenazine?
The canonical SMILES for 10-benzylphenoselenazine is c1ccc(CN2c3ccccc3[Se]c3ccccc32)cc1.
What is the InChIKey of 10-benzylphenoselenazine?
The InChIKey is UTPBGDQSYKLMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NSe/c1-2-8-15(9-3-1)14-20-16-10-4-6-12-18(16)21-19-13-7-5-11-17(19)20/h1-13H,14H2.
What are the key properties of 10-benzylphenoselenazine?
10-benzylphenoselenazine has a molecular weight of 336.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzylphenoselenazine is sourced from PubChem (CID 21409567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).