1-deuterio-1H-phenalene

C13H10 — CID 15807089

IUPAC1-deuterio-1H-phenalene
SMILES[2H]C1C=Cc2cccc3cccc1c23
InChIInChI=1S/C13H10/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h1-8H,9H2/i9D
InChIKeyXDJOIMJURHQYDW-QOWOAITPSA-N
MW167.23 g/mol
LogP3.41
Rot. Bonds

About 1-deuterio-1H-phenalene

1-deuterio-1H-phenalene (PubChem CID 15807089) has the molecular formula C13H10 and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-deuterio-1H-phenalene.

Molecular Properties

Compound Name1-deuterio-1H-phenalene
PubChem CID15807089
Molecular FormulaC13H10
Molecular Weight167.23 g/mol
Exact Mass167.08
IUPAC Name1-deuterio-1H-phenalene
SMILES[2H]C1C=Cc2cccc3cccc1c23
InChIInChI=1S/C13H10/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h1-8H,9H2/i9D
InChIKeyXDJOIMJURHQYDW-QOWOAITPSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-1H-phenalene?
The IUPAC name of 1-deuterio-1H-phenalene (CID 15807089) is 1-deuterio-1H-phenalene.
What is the SMILES notation for 1-deuterio-1H-phenalene?
The canonical SMILES for 1-deuterio-1H-phenalene is [2H]C1C=Cc2cccc3cccc1c23.
What is the InChIKey of 1-deuterio-1H-phenalene?
The InChIKey is XDJOIMJURHQYDW-QOWOAITPSA-N. The full InChI is InChI=1S/C13H10/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h1-8H,9H2/i9D.
What are the key properties of 1-deuterio-1H-phenalene?
1-deuterio-1H-phenalene has a molecular weight of 167.23 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-1H-phenalene is sourced from PubChem (CID 15807089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).