lithium anthracene

C14H10Li+ — CID 22662646

IUPAClithium anthracene
SMILES[Li+].c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.Li/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;/h1-10H;/q;+1
InChIKeyPHKAIWDBWVMDQZ-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.00
Rot. Bonds

About lithium anthracene

lithium anthracene (PubChem CID 22662646) has the molecular formula C14H10Li+ and a molecular weight of 185.17 g/mol. Its IUPAC name is lithium anthracene.

Molecular Properties

Compound Namelithium anthracene
PubChem CID22662646
Molecular FormulaC14H10Li+
Molecular Weight185.17 g/mol
Exact Mass185.09
IUPAC Namelithium anthracene
SMILES[Li+].c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.Li/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;/h1-10H;/q;+1
InChIKeyPHKAIWDBWVMDQZ-UHFFFAOYSA-N
XLogP1.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Naphthalene
CID 931
Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153

Frequently Asked Questions

What is the IUPAC name of lithium anthracene?
The IUPAC name of lithium anthracene (CID 22662646) is lithium anthracene.
What is the SMILES notation for lithium anthracene?
The canonical SMILES for lithium anthracene is [Li+].c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of lithium anthracene?
The InChIKey is PHKAIWDBWVMDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.Li/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;/h1-10H;/q;+1.
What are the key properties of lithium anthracene?
lithium anthracene has a molecular weight of 185.17 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium anthracene is sourced from PubChem (CID 22662646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).