dilithium;2-phenylethynylbenzene

C14H8Li2 — CID 134970833

IUPACdilithium;2-phenylethynylbenzene
SMILESC(#Cc1[c-]cccc1)c1[c-]cccc1.[Li+].[Li+]
InChIInChI=1S/C14H8.2Li/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;;/h1-7,9H;;/q-2;2*+1
InChIKeyCEJNHOOLDXBMQL-UHFFFAOYSA-N
MW190.10 g/mol
LogP-3.31
Rot. Bonds

About dilithium;2-phenylethynylbenzene

dilithium;2-phenylethynylbenzene (PubChem CID 134970833) has the molecular formula C14H8Li2 and a molecular weight of 190.10 g/mol. Its IUPAC name is dilithium;2-phenylethynylbenzene.

Molecular Properties

Compound Namedilithium;2-phenylethynylbenzene
PubChem CID134970833
Molecular FormulaC14H8Li2
Molecular Weight190.10 g/mol
Exact Mass190.09
IUPAC Namedilithium;2-phenylethynylbenzene
SMILESC(#Cc1[c-]cccc1)c1[c-]cccc1.[Li+].[Li+]
InChIInChI=1S/C14H8.2Li/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;;/h1-7,9H;;/q-2;2*+1
InChIKeyCEJNHOOLDXBMQL-UHFFFAOYSA-N
XLogP-3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 5-3.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dilithium;2-phenylethynylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4'-Biphenylylenedilithium
CID 81823
2,2'-Dilithiobiphenyl
CID 12532846
2-Phenylethynylbenzene;bis(yttrium)
CID 135041480
Dilithium;ethynylbenzene
CID 12696041
p-Ethynyl phenyl lithium
CID 129736740
1,3-Dilithiopropargylbenzene
CID 129739345
1,3-Dilithio-2-propynylbenzene
CID 129740922
4,4'-Dilithiostilbene
CID 129776926
(5Z)-5-ethenylnona-1,5,8-trien-3-yne
CID 146167076
Dilithium;ethynylbenzene
CID 13582550
Lithium biphenylide
CID 54750202
2-Phenylethynylbenzene;tungsten;vanadium
CID 59905381

Frequently Asked Questions

What is the IUPAC name of dilithium;2-phenylethynylbenzene?
The IUPAC name of dilithium;2-phenylethynylbenzene (CID 134970833) is dilithium;2-phenylethynylbenzene.
What is the SMILES notation for dilithium;2-phenylethynylbenzene?
The canonical SMILES for dilithium;2-phenylethynylbenzene is C(#Cc1[c-]cccc1)c1[c-]cccc1.[Li+].[Li+].
What is the InChIKey of dilithium;2-phenylethynylbenzene?
The InChIKey is CEJNHOOLDXBMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8.2Li/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;;/h1-7,9H;;/q-2;2*+1.
What are the key properties of dilithium;2-phenylethynylbenzene?
dilithium;2-phenylethynylbenzene has a molecular weight of 190.10 g/mol, XLogP of -3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-phenylethynylbenzene is sourced from PubChem (CID 134970833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).