sodium 9H-anthracen-9-ide

C14H9Na — CID 86121808

IUPACsodium 9H-anthracen-9-ide
SMILES[Na+].[c-]1c2ccccc2cc2ccccc12
InChIInChI=1S/C14H9.Na/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;/h1-9H;/q-1;+1
InChIKeyJVAUQYSVUOPIDO-UHFFFAOYSA-N
MW200.22 g/mol
LogP0.80
Rot. Bonds

About sodium 9H-anthracen-9-ide

sodium 9H-anthracen-9-ide (PubChem CID 86121808) has the molecular formula C14H9Na and a molecular weight of 200.22 g/mol. Its IUPAC name is sodium 9H-anthracen-9-ide.

Molecular Properties

Compound Namesodium 9H-anthracen-9-ide
PubChem CID86121808
Molecular FormulaC14H9Na
Molecular Weight200.22 g/mol
Exact Mass200.06
IUPAC Namesodium 9H-anthracen-9-ide
SMILES[Na+].[c-]1c2ccccc2cc2ccccc12
InChIInChI=1S/C14H9.Na/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;/h1-9H;/q-1;+1
InChIKeyJVAUQYSVUOPIDO-UHFFFAOYSA-N
XLogP0.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9H-anthracen-9-ide;carbanide;yttrium
CID 170732925
9H-anthracen-9-ide;bromozinc(1+)
CID 171991378
bis(9H-anthracen-9-ide);diphenylphosphaniumylmethyl(diphenyl)phosphanium;bis(gold(1+))
CID 162499550
lithium 2,3-dimethyl-1H-naphthalen-1-ide
CID 175420252
sodium;anthracene;hydride
CID 173035649
anthracene;silane
CID 131739126
lithium anthracene
CID 22662646
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
anthracene;vanadium
CID 173418141
CID 158474185
CID 158474185
cobalt;1H-naphthalen-1-id-2-amine
CID 88845481
gold(1+);1H-naphthalen-1-ide-2-thiol
CID 87433558

Frequently Asked Questions

What is the IUPAC name of sodium 9H-anthracen-9-ide?
The IUPAC name of sodium 9H-anthracen-9-ide (CID 86121808) is sodium 9H-anthracen-9-ide.
What is the SMILES notation for sodium 9H-anthracen-9-ide?
The canonical SMILES for sodium 9H-anthracen-9-ide is [Na+].[c-]1c2ccccc2cc2ccccc12.
What is the InChIKey of sodium 9H-anthracen-9-ide?
The InChIKey is JVAUQYSVUOPIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9.Na/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;/h1-9H;/q-1;+1.
What are the key properties of sodium 9H-anthracen-9-ide?
sodium 9H-anthracen-9-ide has a molecular weight of 200.22 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 9H-anthracen-9-ide is sourced from PubChem (CID 86121808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).