dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium

C16H18NSe2+ — CID 135051357

IUPACdimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium
SMILESC[N+](C)=CC1=C2[Se][Se]C(c3ccccc3)=C2CCC1
InChIInChI=1S/C16H18NSe2/c1-17(2)11-13-9-6-10-14-15(18-19-16(13)14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3/q+1
InChIKeyQDYGULUXUUHJHN-UHFFFAOYSA-N
MW382.25 g/mol
LogP2.52
Rot. Bonds2

About dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium

dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium (PubChem CID 135051357) has the molecular formula C16H18NSe2+ and a molecular weight of 382.25 g/mol. Its IUPAC name is dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium
PubChem CID135051357
Molecular FormulaC16H18NSe2+
Molecular Weight382.25 g/mol
Exact Mass383.98
IUPAC Namedimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium
SMILESC[N+](C)=CC1=C2[Se][Se]C(c3ccccc3)=C2CCC1
InChIInChI=1S/C16H18NSe2/c1-17(2)11-13-9-6-10-14-15(18-19-16(13)14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3/q+1
InChIKeyQDYGULUXUUHJHN-UHFFFAOYSA-N
XLogP2.52
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methanamine, N-(phenylmethylene)-
CID 73954
1,2-Ethanediamine, N1,N2-bis(phenylmethylene)-
CID 66033
Ethanamine, N-(phenylmethylene)-
CID 111239
N-Benzylidenepropylamine
CID 250250
2,3-Dihydro-1-methyl-4-phenylpyridinium
CID 150459
[(E)-3-(dimethylamino)-2-(4-hexylphenyl)prop-2-enylidene]-dimethylazanium
CID 3092170
Decylamine, N-benzylidene-
CID 525554
Butylamine, N-benzylidene-
CID 296031
1-Propanamine, 2-methyl-N-(phenylmethylene)-
CID 11805067
(E)-N-isopentyl-1-phenylmethanimine
CID 15061859
Hexylamine, N-benzylidene-
CID 525556
1-Pentanamine, N-(phenylmethylene)-
CID 525559

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium?
The IUPAC name of dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium (CID 135051357) is dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium.
What is the SMILES notation for dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium?
The canonical SMILES for dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium is C[N+](C)=CC1=C2[Se][Se]C(c3ccccc3)=C2CCC1.
What is the InChIKey of dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium?
The InChIKey is QDYGULUXUUHJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NSe2/c1-17(2)11-13-9-6-10-14-15(18-19-16(13)14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3/q+1.
What are the key properties of dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium?
dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium has a molecular weight of 382.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium is sourced from PubChem (CID 135051357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).