N-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine

C27H21N3 — CID 71541485

IUPACN-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine
SMILESCc1ccc(Nc2nnc(-c3cccc(-c4ccccc4)c3)c3ccccc23)cc1
InChIInChI=1S/C27H21N3/c1-19-14-16-23(17-15-19)28-27-25-13-6-5-12-24(25)26(29-30-27)22-11-7-10-21(18-22)20-8-3-2-4-9-20/h2-18H,1H3,(H,28,30)
InChIKeyCHIAKVKDMHATIM-UHFFFAOYSA-N
MW387.49 g/mol
LogP7.02
Rot. Bonds4

About N-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine

N-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine (PubChem CID 71541485) has the molecular formula C27H21N3 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine
PubChem CID71541485
Molecular FormulaC27H21N3
Molecular Weight387.49 g/mol
Exact Mass387.17
IUPAC NameN-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine
SMILESCc1ccc(Nc2nnc(-c3cccc(-c4ccccc4)c3)c3ccccc23)cc1
InChIInChI=1S/C27H21N3/c1-19-14-16-23(17-15-19)28-27-25-13-6-5-12-24(25)26(29-30-27)22-11-7-10-21(18-22)20-8-3-2-4-9-20/h2-18H,1H3,(H,28,30)
InChIKeyCHIAKVKDMHATIM-UHFFFAOYSA-N
XLogP7.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 57.02
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-(3-phenylphenyl)phthalazin-1-amine?
The IUPAC name of N-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine (CID 71541485) is N-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine?
The canonical SMILES for N-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine is Cc1ccc(Nc2nnc(-c3cccc(-c4ccccc4)c3)c3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine?
The InChIKey is CHIAKVKDMHATIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3/c1-19-14-16-23(17-15-19)28-27-25-13-6-5-12-24(25)26(29-30-27)22-11-7-10-21(18-22)20-8-3-2-4-9-20/h2-18H,1H3,(H,28,30).
What are the key properties of N-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine?
N-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine has a molecular weight of 387.49 g/mol, XLogP of 7.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(3-phenylphenyl)phthalazin-1-amine is sourced from PubChem (CID 71541485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).