2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine

C26H24N4 — CID 158581624

IUPAC2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccnc(-c2cc(C)ccn2)c1
InChIInChI=1S/C14H12N2.C12H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3;3-8H,1-2H3
InChIKeyHTHZGGWUKPYJET-UHFFFAOYSA-N
MW392.51 g/mol
LogP6.16
Rot. Bonds1

About 2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine

2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine (PubChem CID 158581624) has the molecular formula C26H24N4 and a molecular weight of 392.51 g/mol. Its IUPAC name is 2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine
PubChem CID158581624
Molecular FormulaC26H24N4
Molecular Weight392.51 g/mol
Exact Mass392.20
IUPAC Name2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccnc(-c2cc(C)ccn2)c1
InChIInChI=1S/C14H12N2.C12H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3;3-8H,1-2H3
InChIKeyHTHZGGWUKPYJET-UHFFFAOYSA-N
XLogP6.16
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The IUPAC name of 2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine (CID 158581624) is 2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine.
What is the SMILES notation for 2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The canonical SMILES for 2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine is Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccnc(-c2cc(C)ccn2)c1.
What is the InChIKey of 2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
The InChIKey is HTHZGGWUKPYJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.C12H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3;3-8H,1-2H3.
What are the key properties of 2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine?
2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine has a molecular weight of 392.51 g/mol, XLogP of 6.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine is sourced from PubChem (CID 158581624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).