N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine

C27H21N4P — CID 71820462

IUPACN-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine
SMILESC(=NNc1nncc2ccccc12)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H21N4P/c1-3-13-23(14-4-1)32(24-15-5-2-6-16-24)26-18-10-8-12-22(26)20-29-31-27-25-17-9-7-11-21(25)19-28-30-27/h1-20H,(H,30,31)
InChIKeyCOMQZDHDVHQWPH-UHFFFAOYSA-N
MW432.47 g/mol
LogP4.83
Rot. Bonds6

About N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine

N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine (PubChem CID 71820462) has the molecular formula C27H21N4P and a molecular weight of 432.47 g/mol. Its IUPAC name is N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine
PubChem CID71820462
Molecular FormulaC27H21N4P
Molecular Weight432.47 g/mol
Exact Mass432.15
IUPAC NameN-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine
SMILESC(=NNc1nncc2ccccc12)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H21N4P/c1-3-13-23(14-4-1)32(24-15-5-2-6-16-24)26-18-10-8-12-22(26)20-29-31-27-25-17-9-7-11-21(25)19-28-30-27/h1-20H,(H,30,31)
InChIKeyCOMQZDHDVHQWPH-UHFFFAOYSA-N
XLogP4.83
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.83
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-[(phthalazin-1-ylhydrazinylidene)methyl]benzene-1,2,4-triol
CID 140599283
N-[(2,3-dimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6812902
N-(pyridin-2-ylmethylideneamino)phthalazin-1-amine
CID 24792239
N-[(Z)-(4-chlorophenyl)methylideneamino]phthalazin-1-amine
CID 6111828
N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]phthalazin-1-amine
CID 6148660
4-methyl-N-[2-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]phenyl]benzenesulfonamide
CID 38114717
2,3-dimethoxy-6-[(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6795285
2,3-dimethoxy-6-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6412287
N-[(Z)-4-phenylbutylideneamino]phthalazin-1-amine
CID 70876978
N-[(Z)-(1-methylimidazol-2-yl)methylideneamino]phthalazin-1-amine
CID 95185537
N-[(3,4,5-trimethoxyphenyl)methylideneamino]phthalazin-1-amine
CID 6828163
N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine
CID 6845020

Frequently Asked Questions

What is the IUPAC name of N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine (CID 71820462) is N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine is C(=NNc1nncc2ccccc12)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine?
The InChIKey is COMQZDHDVHQWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N4P/c1-3-13-23(14-4-1)32(24-15-5-2-6-16-24)26-18-10-8-12-22(26)20-29-31-27-25-17-9-7-11-21(25)19-28-30-27/h1-20H,(H,30,31).
What are the key properties of N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine?
N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine has a molecular weight of 432.47 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-diphenylphosphanylphenyl)methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 71820462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).