1,2,3,4-tetradeuterioanthracene

C14H10 — CID 141245639

IUPAC1,2,3,4-tetradeuterioanthracene
SMILES[2H]c1c([2H])c([2H])c2cc3ccccc3cc2c1[2H]
InChIInChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/i1D,2D,5D,6D
InChIKeyMWPLVEDNUUSJAV-NMRLXUNGSA-N
MW182.26 g/mol
LogP3.99
Rot. Bonds

About 1,2,3,4-tetradeuterioanthracene

1,2,3,4-tetradeuterioanthracene (PubChem CID 141245639) has the molecular formula C14H10 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterioanthracene.

Molecular Properties

Compound Name1,2,3,4-tetradeuterioanthracene
PubChem CID141245639
Molecular FormulaC14H10
Molecular Weight182.26 g/mol
Exact Mass182.10
IUPAC Name1,2,3,4-tetradeuterioanthracene
SMILES[2H]c1c([2H])c([2H])c2cc3ccccc3cc2c1[2H]
InChIInChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/i1D,2D,5D,6D
InChIKeyMWPLVEDNUUSJAV-NMRLXUNGSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.99
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

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CID 54171203
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterioanthracene?
The IUPAC name of 1,2,3,4-tetradeuterioanthracene (CID 141245639) is 1,2,3,4-tetradeuterioanthracene.
What is the SMILES notation for 1,2,3,4-tetradeuterioanthracene?
The canonical SMILES for 1,2,3,4-tetradeuterioanthracene is [2H]c1c([2H])c([2H])c2cc3ccccc3cc2c1[2H].
What is the InChIKey of 1,2,3,4-tetradeuterioanthracene?
The InChIKey is MWPLVEDNUUSJAV-NMRLXUNGSA-N. The full InChI is InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/i1D,2D,5D,6D.
What are the key properties of 1,2,3,4-tetradeuterioanthracene?
1,2,3,4-tetradeuterioanthracene has a molecular weight of 182.26 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetradeuterioanthracene is sourced from PubChem (CID 141245639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).