12-methylbenzo[b]phenoselenazine

C17H13NSe — CID 24835281

IUPAC12-methylbenzo[b]phenoselenazine
SMILESCN1c2ccccc2[Se]c2cc3ccccc3cc21
InChIInChI=1S/C17H13NSe/c1-18-14-8-4-5-9-16(14)19-17-11-13-7-3-2-6-12(13)10-15(17)18/h2-11H,1H3
InChIKeyIMSBZGZZOYEMIO-UHFFFAOYSA-N
MW310.26 g/mol
LogP2.58
Rot. Bonds

About 12-methylbenzo[b]phenoselenazine

12-methylbenzo[b]phenoselenazine (PubChem CID 24835281) has the molecular formula C17H13NSe and a molecular weight of 310.26 g/mol. Its IUPAC name is 12-methylbenzo[b]phenoselenazine.

Molecular Properties

Compound Name12-methylbenzo[b]phenoselenazine
PubChem CID24835281
Molecular FormulaC17H13NSe
Molecular Weight310.26 g/mol
Exact Mass311.02
IUPAC Name12-methylbenzo[b]phenoselenazine
SMILESCN1c2ccccc2[Se]c2cc3ccccc3cc21
InChIInChI=1S/C17H13NSe/c1-18-14-8-4-5-9-16(14)19-17-11-13-7-3-2-6-12(13)10-15(17)18/h2-11H,1H3
InChIKeyIMSBZGZZOYEMIO-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 52.58
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 12-methylbenzo[b]phenoselenazine?
The IUPAC name of 12-methylbenzo[b]phenoselenazine (CID 24835281) is 12-methylbenzo[b]phenoselenazine.
What is the SMILES notation for 12-methylbenzo[b]phenoselenazine?
The canonical SMILES for 12-methylbenzo[b]phenoselenazine is CN1c2ccccc2[Se]c2cc3ccccc3cc21.
What is the InChIKey of 12-methylbenzo[b]phenoselenazine?
The InChIKey is IMSBZGZZOYEMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NSe/c1-18-14-8-4-5-9-16(14)19-17-11-13-7-3-2-6-12(13)10-15(17)18/h2-11H,1H3.
What are the key properties of 12-methylbenzo[b]phenoselenazine?
12-methylbenzo[b]phenoselenazine has a molecular weight of 310.26 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methylbenzo[b]phenoselenazine is sourced from PubChem (CID 24835281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).