2-methylidene-1,3-dihydrophenalen-3-ylium

C14H11+ — CID 136803869

IUPAC2-methylidene-1,3-dihydrophenalen-3-ylium
SMILESC=C1[CH+]c2cccc3cccc(c23)C1
InChIInChI=1S/C14H11/c1-10-8-12-6-2-4-11-5-3-7-13(9-10)14(11)12/h2-8H,1,9H2/q+1
InChIKeyLQVVURAQESRTOA-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.50
Rot. Bonds

About 2-methylidene-1,3-dihydrophenalen-3-ylium

2-methylidene-1,3-dihydrophenalen-3-ylium (PubChem CID 136803869) has the molecular formula C14H11+ and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-methylidene-1,3-dihydrophenalen-3-ylium.

Molecular Properties

Compound Name2-methylidene-1,3-dihydrophenalen-3-ylium
PubChem CID136803869
Molecular FormulaC14H11+
Molecular Weight179.24 g/mol
Exact Mass179.09
IUPAC Name2-methylidene-1,3-dihydrophenalen-3-ylium
SMILESC=C1[CH+]c2cccc3cccc(c23)C1
InChIInChI=1S/C14H11/c1-10-8-12-6-2-4-11-5-3-7-13(9-10)14(11)12/h2-8H,1,9H2/q+1
InChIKeyLQVVURAQESRTOA-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1,3-dihydrophenalen-3-ylium
CID 146033419
1,2-dihydroacenaphthylene
CID 161018660
ethane;2-methylidene-3H-phenalen-1-one
CID 143157925
pyrene;zirconium
CID 175873743
pyrene;dihydrobromide
CID 172822251
2-methyl-1H-phenalene
CID 71398400
11-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-12-one
CID 101074094
11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
CID 134385979
1,2-dihydroacenaphthylene;dioxotitanium
CID 175288385
1,2-dihydroacenaphthylene;perylene
CID 157201241
phenanthrene;pyrene;triphenylene
CID 162115949
1,4-dioxane;pyrene
CID 88726841

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,3-dihydrophenalen-3-ylium?
The IUPAC name of 2-methylidene-1,3-dihydrophenalen-3-ylium (CID 136803869) is 2-methylidene-1,3-dihydrophenalen-3-ylium.
What is the SMILES notation for 2-methylidene-1,3-dihydrophenalen-3-ylium?
The canonical SMILES for 2-methylidene-1,3-dihydrophenalen-3-ylium is C=C1[CH+]c2cccc3cccc(c23)C1.
What is the InChIKey of 2-methylidene-1,3-dihydrophenalen-3-ylium?
The InChIKey is LQVVURAQESRTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11/c1-10-8-12-6-2-4-11-5-3-7-13(9-10)14(11)12/h2-8H,1,9H2/q+1.
What are the key properties of 2-methylidene-1,3-dihydrophenalen-3-ylium?
2-methylidene-1,3-dihydrophenalen-3-ylium has a molecular weight of 179.24 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,3-dihydrophenalen-3-ylium is sourced from PubChem (CID 136803869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).