N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

C26H20N4 — CID 6419389

IUPACN-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESc1ccc(-c2ccc(Nc3nnc(Cc4ccncc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C26H20N4/c1-2-6-20(7-3-1)21-10-12-22(13-11-21)28-26-24-9-5-4-8-23(24)25(29-30-26)18-19-14-16-27-17-15-19/h1-17H,18H2,(H,28,30)
InChIKeyFWAKGUVZUVZGNE-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.03
Rot. Bonds5

About N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine (PubChem CID 6419389) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
PubChem CID6419389
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC NameN-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESc1ccc(-c2ccc(Nc3nnc(Cc4ccncc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C26H20N4/c1-2-6-20(7-3-1)21-10-12-22(13-11-21)28-26-24-9-5-4-8-23(24)25(29-30-26)18-19-14-16-27-17-15-19/h1-17H,18H2,(H,28,30)
InChIKeyFWAKGUVZUVZGNE-UHFFFAOYSA-N
XLogP6.03
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine (CID 6419389) is N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine is c1ccc(-c2ccc(Nc3nnc(Cc4ccncc4)c4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The InChIKey is FWAKGUVZUVZGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c1-2-6-20(7-3-1)21-10-12-22(13-11-21)28-26-24-9-5-4-8-23(24)25(29-30-26)18-19-14-16-27-17-15-19/h1-17H,18H2,(H,28,30).
What are the key properties of N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine has a molecular weight of 388.47 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 6419389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).