3-chloro-2,5-diphenyl-4H-diazarsole

C14H12AsClN2 — CID 86012203

IUPAC3-chloro-2,5-diphenyl-4H-diazarsole
SMILESCl[As]1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C14H12AsClN2/c16-15-11-14(12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyZGRDXBFOLRUBHR-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.64
Rot. Bonds2

About 3-chloro-2,5-diphenyl-4H-diazarsole

3-chloro-2,5-diphenyl-4H-diazarsole (PubChem CID 86012203) has the molecular formula C14H12AsClN2 and a molecular weight of 318.64 g/mol. Its IUPAC name is 3-chloro-2,5-diphenyl-4H-diazarsole.

Molecular Properties

Compound Name3-chloro-2,5-diphenyl-4H-diazarsole
PubChem CID86012203
Molecular FormulaC14H12AsClN2
Molecular Weight318.64 g/mol
Exact Mass317.99
IUPAC Name3-chloro-2,5-diphenyl-4H-diazarsole
SMILESCl[As]1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C14H12AsClN2/c16-15-11-14(12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyZGRDXBFOLRUBHR-UHFFFAOYSA-N
XLogP3.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Diphenyl-4,5-dihydro-1H-pyrazole
CID 302304
N-Phenylbenzenecarbohydrazonoyl chloride
CID 7290563
3-[1-(Phenyl-hydrazono)-ethyl]-phenylamine
CID 9589800
N,1-diphenylethan-1-imine
CID 555698
Benzalacetophenone phenylhydrazone
CID 5716958
Benzenecarboximidic acid, 2-phenylhydrazide, monohydrochloride
CID 9578610
Benzoyl chloride phenylhydrazone
CID 27278
2'-Aminoacetophenone phenylhydrazone
CID 9654732
Acetophenone phenylhydrazone
CID 9576952
4-Phenyl-3-buten-2-one phenylhydrazone
CID 9615414
2-(N-anilino-C-methyl-carbonimidoyl)aniline
CID 4248017
Benzamid-phenylhydrazon
CID 6338223

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-diphenyl-4H-diazarsole?
The IUPAC name of 3-chloro-2,5-diphenyl-4H-diazarsole (CID 86012203) is 3-chloro-2,5-diphenyl-4H-diazarsole.
What is the SMILES notation for 3-chloro-2,5-diphenyl-4H-diazarsole?
The canonical SMILES for 3-chloro-2,5-diphenyl-4H-diazarsole is Cl[As]1CC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 3-chloro-2,5-diphenyl-4H-diazarsole?
The InChIKey is ZGRDXBFOLRUBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12AsClN2/c16-15-11-14(12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 3-chloro-2,5-diphenyl-4H-diazarsole?
3-chloro-2,5-diphenyl-4H-diazarsole has a molecular weight of 318.64 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-diphenyl-4H-diazarsole is sourced from PubChem (CID 86012203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).