N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine

C23H18N4 — CID 134135021

IUPACN-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine
SMILESC(=C/c1ccccc1)\C(=N\Nc1nncc2ccccc12)c1ccccc1
InChIInChI=1S/C23H18N4/c1-3-9-18(10-4-1)15-16-22(19-11-5-2-6-12-19)25-27-23-21-14-8-7-13-20(21)17-24-26-23/h1-17H,(H,26,27)/b16-15+,25-22-
InChIKeyIUZQUGLOCXBWCX-QCGZKTFGSA-N
MW350.43 g/mol
LogP5.16
Rot. Bonds5

About N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine

N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine (PubChem CID 134135021) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine
PubChem CID134135021
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC NameN-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine
SMILESC(=C/c1ccccc1)\C(=N\Nc1nncc2ccccc12)c1ccccc1
InChIInChI=1S/C23H18N4/c1-3-9-18(10-4-1)15-16-22(19-11-5-2-6-12-19)25-27-23-21-14-8-7-13-20(21)17-24-26-23/h1-17H,(H,26,27)/b16-15+,25-22-
InChIKeyIUZQUGLOCXBWCX-QCGZKTFGSA-N
XLogP5.16
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine?
The IUPAC name of N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine (CID 134135021) is N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine.
What is the SMILES notation for N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine?
The canonical SMILES for N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine is C(=C/c1ccccc1)\C(=N\Nc1nncc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine?
The InChIKey is IUZQUGLOCXBWCX-QCGZKTFGSA-N. The full InChI is InChI=1S/C23H18N4/c1-3-9-18(10-4-1)15-16-22(19-11-5-2-6-12-19)25-27-23-21-14-8-7-13-20(21)17-24-26-23/h1-17H,(H,26,27)/b16-15+,25-22-.
What are the key properties of N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine?
N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine has a molecular weight of 350.43 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-1,3-diphenylprop-2-enylidene]amino]phthalazin-1-amine is sourced from PubChem (CID 134135021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).