1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride

C27H19Cl6Sb — CID 158640594

IUPAC1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride
SMILESC1=CC2=CC=CC(=C(c3ccccc3)c3cccc4ccccc34)[C+]2C=C1.Cl[Sb](Cl)(Cl)(Cl)Cl.[Cl-]
InChIInChI=1S/C27H19.6ClH.Sb/c1-2-12-22(13-3-1)27(25-18-8-14-20-10-4-6-16-23(20)25)26-19-9-15-21-11-5-7-17-24(21)26;;;;;;;/h1-19H;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyNBKSFLUXGMXKCS-UHFFFAOYSA-H
MW677.93 g/mol
LogP6.91
Rot. Bonds2

About 1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride

1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride (PubChem CID 158640594) has the molecular formula C27H19Cl6Sb and a molecular weight of 677.93 g/mol. Its IUPAC name is 1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride.

Molecular Properties

Compound Name1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride
PubChem CID158640594
Molecular FormulaC27H19Cl6Sb
Molecular Weight677.93 g/mol
Exact Mass673.87
IUPAC Name1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride
SMILESC1=CC2=CC=CC(=C(c3ccccc3)c3cccc4ccccc34)[C+]2C=C1.Cl[Sb](Cl)(Cl)(Cl)Cl.[Cl-]
InChIInChI=1S/C27H19.6ClH.Sb/c1-2-12-22(13-3-1)27(25-18-8-14-20-10-4-6-16-23(20)25)26-19-9-15-21-11-5-7-17-24(21)26;;;;;;;/h1-19H;6*1H;/q+1;;;;;;;+5/p-6
InChIKeyNBKSFLUXGMXKCS-UHFFFAOYSA-H
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.93
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methyl-[4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]oxidanium;pentachloro-λ5-stibane;chloride
CID 160793372
[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate
CID 134263043
(4Z)-2-methyl-4-[naphthalen-1-yl(phenyl)methylidene]cyclohexa-2,5-dien-1-one
CID 134936561
CID 172736940
CID 172736940
1-(1-phenylprop-1-enyl)naphthalene
CID 54216225
benzene-1,3-dicarboxylic acid;ethane-1,2-diol;naphthalene-1-carboxylic acid
CID 175531954
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
1-[(Z)-1,2-diphenylethenyl]naphthalene
CID 11347319
methane;naphthalen-1-yl(phenyl)methanone;sulfuric acid
CID 70453659
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
(2-methylphenyl)-naphthalen-1-ylmethanone;phenyl(pyridin-4-yl)methanone
CID 21432102

Frequently Asked Questions

What is the IUPAC name of 1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride?
The IUPAC name of 1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride (CID 158640594) is 1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride.
What is the SMILES notation for 1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride?
The canonical SMILES for 1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride is C1=CC2=CC=CC(=C(c3ccccc3)c3cccc4ccccc34)[C+]2C=C1.Cl[Sb](Cl)(Cl)(Cl)Cl.[Cl-].
What is the InChIKey of 1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride?
The InChIKey is NBKSFLUXGMXKCS-UHFFFAOYSA-H. The full InChI is InChI=1S/C27H19.6ClH.Sb/c1-2-12-22(13-3-1)27(25-18-8-14-20-10-4-6-16-23(20)25)26-19-9-15-21-11-5-7-17-24(21)26;;;;;;;/h1-19H;6*1H;/q+1;;;;;;;+5/p-6.
What are the key properties of 1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride?
1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride has a molecular weight of 677.93 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[naphthalen-8a-ylium-1-ylidene(phenyl)methyl]naphthalene;pentachloro-λ5-stibane;chloride is sourced from PubChem (CID 158640594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).