1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine

C26H20N2O — CID 6415989

IUPAC1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine
SMILESCc1ccc(-c2nnc(Oc3ccc4ccccc4c3)c3ccccc23)cc1C
InChIInChI=1S/C26H20N2O/c1-17-11-12-21(15-18(17)2)25-23-9-5-6-10-24(23)26(28-27-25)29-22-14-13-19-7-3-4-8-20(19)16-22/h3-16H,1-2H3
InChIKeyATTVJRKRFQUJGX-UHFFFAOYSA-N
MW376.46 g/mol
LogP6.86
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine

1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine (PubChem CID 6415989) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine
PubChem CID6415989
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine
SMILESCc1ccc(-c2nnc(Oc3ccc4ccccc4c3)c3ccccc23)cc1C
InChIInChI=1S/C26H20N2O/c1-17-11-12-21(15-18(17)2)25-23-9-5-6-10-24(23)26(28-27-25)29-22-14-13-19-7-3-4-8-20(19)16-22/h3-16H,1-2H3
InChIKeyATTVJRKRFQUJGX-UHFFFAOYSA-N
XLogP6.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine (CID 6415989) is 1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine is Cc1ccc(-c2nnc(Oc3ccc4ccccc4c3)c3ccccc23)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine?
The InChIKey is ATTVJRKRFQUJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O/c1-17-11-12-21(15-18(17)2)25-23-9-5-6-10-24(23)26(28-27-25)29-22-14-13-19-7-3-4-8-20(19)16-22/h3-16H,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine?
1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine has a molecular weight of 376.46 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-naphthalen-2-yloxyphthalazine is sourced from PubChem (CID 6415989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).