2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium

C12H10Pr2-2 — CID 59074422

IUPAC2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium
SMILESCc1[c-]c2ccccc2[c-]c1C.[Pr].[Pr]
InChIInChI=1S/C12H10.2Pr/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;;/h3-6H,1-2H3;;/q-2;;
InChIKeyQDNVEXHZHCKTSY-UHFFFAOYSA-N
MW436.03 g/mol
LogP3.06
Rot. Bonds

About 2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium

2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium (PubChem CID 59074422) has the molecular formula C12H10Pr2-2 and a molecular weight of 436.03 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium.

Molecular Properties

Compound Name2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium
PubChem CID59074422
Molecular FormulaC12H10Pr2-2
Molecular Weight436.03 g/mol
Exact Mass435.89
IUPAC Name2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium
SMILESCc1[c-]c2ccccc2[c-]c1C.[Pr].[Pr]
InChIInChI=1S/C12H10.2Pr/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;;/h3-6H,1-2H3;;/q-2;;
InChIKeyQDNVEXHZHCKTSY-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.03
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium?
The IUPAC name of 2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium (CID 59074422) is 2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium.
What is the SMILES notation for 2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium?
The canonical SMILES for 2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium is Cc1[c-]c2ccccc2[c-]c1C.[Pr].[Pr].
What is the InChIKey of 2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium?
The InChIKey is QDNVEXHZHCKTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.2Pr/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;;/h3-6H,1-2H3;;/q-2;;.
What are the key properties of 2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium?
2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium has a molecular weight of 436.03 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-dihydronaphthalene-1,4-diide;praseodymium is sourced from PubChem (CID 59074422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).