3H-acridin-3-ide;praseodymium

C13H8NPr- — CID 172620729

IUPAC3H-acridin-3-ide;praseodymium
SMILES[Pr].[c-]1ccc2cc3ccccc3nc2c1
InChIInChI=1S/C13H8N.Pr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-3,5-9H;/q-1;
InChIKeyDHZVJKVPNIPSKM-UHFFFAOYSA-N
MW319.12 g/mol
LogP3.19
Rot. Bonds

About 3H-acridin-3-ide;praseodymium

3H-acridin-3-ide;praseodymium (PubChem CID 172620729) has the molecular formula C13H8NPr- and a molecular weight of 319.12 g/mol. Its IUPAC name is 3H-acridin-3-ide;praseodymium.

Molecular Properties

Compound Name3H-acridin-3-ide;praseodymium
PubChem CID172620729
Molecular FormulaC13H8NPr-
Molecular Weight319.12 g/mol
Exact Mass318.97
IUPAC Name3H-acridin-3-ide;praseodymium
SMILES[Pr].[c-]1ccc2cc3ccccc3nc2c1
InChIInChI=1S/C13H8N.Pr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-3,5-9H;/q-1;
InChIKeyDHZVJKVPNIPSKM-UHFFFAOYSA-N
XLogP3.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.12
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3H-acridin-3-ide;praseodymium?
The IUPAC name of 3H-acridin-3-ide;praseodymium (CID 172620729) is 3H-acridin-3-ide;praseodymium.
What is the SMILES notation for 3H-acridin-3-ide;praseodymium?
The canonical SMILES for 3H-acridin-3-ide;praseodymium is [Pr].[c-]1ccc2cc3ccccc3nc2c1.
What is the InChIKey of 3H-acridin-3-ide;praseodymium?
The InChIKey is DHZVJKVPNIPSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N.Pr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-3,5-9H;/q-1;.
What are the key properties of 3H-acridin-3-ide;praseodymium?
3H-acridin-3-ide;praseodymium has a molecular weight of 319.12 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-acridin-3-ide;praseodymium is sourced from PubChem (CID 172620729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).