N-(4-methylphenyl)-4-phenylphthalazin-1-amine

C21H17N3 — CID 3124067

IUPACN-(4-methylphenyl)-4-phenylphthalazin-1-amine
SMILESCc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C21H17N3/c1-15-11-13-17(14-12-15)22-21-19-10-6-5-9-18(19)20(23-24-21)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,24)
InChIKeyIGUVJKICKDRMPR-UHFFFAOYSA-N
MW311.39 g/mol
LogP5.35
Rot. Bonds3

About N-(4-methylphenyl)-4-phenylphthalazin-1-amine

N-(4-methylphenyl)-4-phenylphthalazin-1-amine (PubChem CID 3124067) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-phenylphthalazin-1-amine
PubChem CID3124067
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC NameN-(4-methylphenyl)-4-phenylphthalazin-1-amine
SMILESCc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C21H17N3/c1-15-11-13-17(14-12-15)22-21-19-10-6-5-9-18(19)20(23-24-21)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,24)
InChIKeyIGUVJKICKDRMPR-UHFFFAOYSA-N
XLogP5.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.39
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-phenylphthalazin-1-amine?
The IUPAC name of N-(4-methylphenyl)-4-phenylphthalazin-1-amine (CID 3124067) is N-(4-methylphenyl)-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-phenylphthalazin-1-amine?
The canonical SMILES for N-(4-methylphenyl)-4-phenylphthalazin-1-amine is Cc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-phenylphthalazin-1-amine?
The InChIKey is IGUVJKICKDRMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-15-11-13-17(14-12-15)22-21-19-10-6-5-9-18(19)20(23-24-21)16-7-3-2-4-8-16/h2-14H,1H3,(H,22,24).
What are the key properties of N-(4-methylphenyl)-4-phenylphthalazin-1-amine?
N-(4-methylphenyl)-4-phenylphthalazin-1-amine has a molecular weight of 311.39 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-phenylphthalazin-1-amine is sourced from PubChem (CID 3124067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).