dimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium

C13H14NSe2+ — CID 135051550

IUPACdimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium
SMILESC[N+](C)=C/C=C1/C=C(c2ccccc2)[Se][Se]1
InChIInChI=1S/C13H14NSe2/c1-14(2)9-8-12-10-13(16-15-12)11-6-4-3-5-7-11/h3-10H,1-2H3/q+1/b12-8-
InChIKeyUGNUSBBJKNWDHC-WQLSENKSSA-N
MW342.18 g/mol
LogP1.59
Rot. Bonds2

About dimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium

dimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium (PubChem CID 135051550) has the molecular formula C13H14NSe2+ and a molecular weight of 342.18 g/mol. Its IUPAC name is dimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium
PubChem CID135051550
Molecular FormulaC13H14NSe2+
Molecular Weight342.18 g/mol
Exact Mass343.95
IUPAC Namedimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium
SMILESC[N+](C)=C/C=C1/C=C(c2ccccc2)[Se][Se]1
InChIInChI=1S/C13H14NSe2/c1-14(2)9-8-12-10-13(16-15-12)11-6-4-3-5-7-11/h3-10H,1-2H3/q+1/b12-8-
InChIKeyUGNUSBBJKNWDHC-WQLSENKSSA-N
XLogP1.59
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 51.59
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'}

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Related Compounds

Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Ethanamine, N-(phenylmethylene)-
CID 111239
N-methyl-alpha-phenylnitrone
CID 819870
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
N-Benzylidenepropylamine
CID 250250
2,3-Dihydro-1-methyl-4-phenylpyridinium
CID 150459
Pyridinium, 2,3-dihydro-1-methyl-4-phenyl-, perchlorate
CID 150458
Butylamine, N-benzylidene-
CID 296031
N-methyliminopropylbenzene
CID 11506476
2-Propen-1-amine, N-(phenylmethylene)-
CID 144271
1-Propanamine, 2-methyl-N-(phenylmethylene)-
CID 11805067

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium?
The IUPAC name of dimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium (CID 135051550) is dimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium.
What is the SMILES notation for dimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium?
The canonical SMILES for dimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium is C[N+](C)=C/C=C1/C=C(c2ccccc2)[Se][Se]1.
What is the InChIKey of dimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium?
The InChIKey is UGNUSBBJKNWDHC-WQLSENKSSA-N. The full InChI is InChI=1S/C13H14NSe2/c1-14(2)9-8-12-10-13(16-15-12)11-6-4-3-5-7-11/h3-10H,1-2H3/q+1/b12-8-.
What are the key properties of dimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium?
dimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium has a molecular weight of 342.18 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium is sourced from PubChem (CID 135051550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).