methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride

C24H19Cl6OSb — CID 160793372

IUPACmethyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride
SMILESC[O+]=C1C=CC(=C(c2ccccc2)c2cccc3ccccc23)C=C1.Cl[Sb](Cl)(Cl)(Cl)Cl.[Cl-]
InChIInChI=1S/C24H19O.6ClH.Sb/c1-25-21-16-14-20(15-17-21)24(19-9-3-2-4-10-19)23-13-7-11-18-8-5-6-12-22(18)23;;;;;;;/h2-17H,1H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyZZBJSZUSMYMMFD-UHFFFAOYSA-H
MW657.89 g/mol
LogP5.57
Rot. Bonds2

About methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride

methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride (PubChem CID 160793372) has the molecular formula C24H19Cl6OSb and a molecular weight of 657.89 g/mol. Its IUPAC name is methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride.

Molecular Properties

Compound Namemethyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride
PubChem CID160793372
Molecular FormulaC24H19Cl6OSb
Molecular Weight657.89 g/mol
Exact Mass653.86
IUPAC Namemethyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride
SMILESC[O+]=C1C=CC(=C(c2ccccc2)c2cccc3ccccc23)C=C1.Cl[Sb](Cl)(Cl)(Cl)Cl.[Cl-]
InChIInChI=1S/C24H19O.6ClH.Sb/c1-25-21-16-14-20(15-17-21)24(19-9-3-2-4-10-19)23-13-7-11-18-8-5-6-12-22(18)23;;;;;;;/h2-17H,1H3;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyZZBJSZUSMYMMFD-UHFFFAOYSA-H
XLogP5.57
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.89
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one
CID 134936561
1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride
CID 158640594
1-(1-phenylprop-1-enyl)naphthalene
CID 54216225
[4-[[8-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]-(4-methoxyphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium
CID 101444235
CID 172736940
CID 172736940
[4-[diazenyl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-methyloxidanium
CID 136749704
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate
CID 134263043
4-benzhydrylidenecyclohexa-2,5-dien-1-imine
CID 67679531
N-phenylnaphthalene-1-carboximidoyl chloride
CID 118049564
(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone
CID 21432102
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804

Frequently Asked Questions

What is the IUPAC name of methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride?
The IUPAC name of methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride (CID 160793372) is methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride.
What is the SMILES notation for methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride?
The canonical SMILES for methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride is C[O+]=C1C=CC(=C(c2ccccc2)c2cccc3ccccc23)C=C1.Cl[Sb](Cl)(Cl)(Cl)Cl.[Cl-].
What is the InChIKey of methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride?
The InChIKey is ZZBJSZUSMYMMFD-UHFFFAOYSA-H. The full InChI is InChI=1S/C24H19O.6ClH.Sb/c1-25-21-16-14-20(15-17-21)24(19-9-3-2-4-10-19)23-13-7-11-18-8-5-6-12-22(18)23;;;;;;;/h2-17H,1H3;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride?
methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride has a molecular weight of 657.89 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride is sourced from PubChem (CID 160793372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).