trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide

C14H7Li3 — CID 19737531

IUPACtrilithium;3,5-dihydro-1H-anthracene-1,3,5-triide
SMILES[Li+].[Li+].[Li+].[c-]1c[c-]c2cc3ccc[c-]c3cc2c1
InChIInChI=1S/C14H7.3Li/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;;;/h1-3,5,8-10H;;;/q-3;3*+1
InChIKeyPPJIBCJTTOBBCF-UHFFFAOYSA-N
MW196.03 g/mol
LogP-5.59
Rot. Bonds

About trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide

trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide (PubChem CID 19737531) has the molecular formula C14H7Li3 and a molecular weight of 196.03 g/mol. Its IUPAC name is trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide.

Molecular Properties

Compound Nametrilithium;3,5-dihydro-1H-anthracene-1,3,5-triide
PubChem CID19737531
Molecular FormulaC14H7Li3
Molecular Weight196.03 g/mol
Exact Mass196.10
IUPAC Nametrilithium;3,5-dihydro-1H-anthracene-1,3,5-triide
SMILES[Li+].[Li+].[Li+].[c-]1c[c-]c2cc3ccc[c-]c3cc2c1
InChIInChI=1S/C14H7.3Li/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;;;/h1-3,5,8-10H;;;/q-3;3*+1
InChIKeyPPJIBCJTTOBBCF-UHFFFAOYSA-N
XLogP-5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.03
LogP ≤ 5-5.59
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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Frequently Asked Questions

What is the IUPAC name of trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide?
The IUPAC name of trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide (CID 19737531) is trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide.
What is the SMILES notation for trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide?
The canonical SMILES for trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide is [Li+].[Li+].[Li+].[c-]1c[c-]c2cc3ccc[c-]c3cc2c1.
What is the InChIKey of trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide?
The InChIKey is PPJIBCJTTOBBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7.3Li/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;;;/h1-3,5,8-10H;;;/q-3;3*+1.
What are the key properties of trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide?
trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide has a molecular weight of 196.03 g/mol, XLogP of -5.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;3,5-dihydro-1H-anthracene-1,3,5-triide is sourced from PubChem (CID 19737531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).