1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine

C32H32Cl2N4O4P4 — CID 158793638

IUPAC1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine
SMILESO=C(Cl)c1cc(P)cc(C(=O)Cl)c1.[H]/P=N/c1cc(C(C)=O)cc(C(=O)Cc2cc(P)cc(CC)c2)c1.[H]/P=N/c1cc(N)cc(N)c1
InChIInChI=1S/C18H19NO2P2.C8H5Cl2O2P.C6H8N3P/c1-3-12-4-13(6-17(22)5-12)7-18(21)15-8-14(11(2)20)9-16(10-15)19-23;9-7(11)4-1-5(8(10)12)3-6(13)2-4;7-4-1-5(8)3-6(2-4)9-10/h4-6,8-10,23H,3,7,22H2,1-2H3;1-3H,13H2;1-3,10H,7-8H2
InChIKeyISOZQLDNTRPHML-UHFFFAOYSA-N
MW731.43 g/mol
LogP8.09
Rot. Bonds9

About 1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine

1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine (PubChem CID 158793638) has the molecular formula C32H32Cl2N4O4P4 and a molecular weight of 731.43 g/mol. Its IUPAC name is 1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine.

Molecular Properties

Compound Name1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine
PubChem CID158793638
Molecular FormulaC32H32Cl2N4O4P4
Molecular Weight731.43 g/mol
Exact Mass730.08
IUPAC Name1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine
SMILESO=C(Cl)c1cc(P)cc(C(=O)Cl)c1.[H]/P=N/c1cc(C(C)=O)cc(C(=O)Cc2cc(P)cc(CC)c2)c1.[H]/P=N/c1cc(N)cc(N)c1
InChIInChI=1S/C18H19NO2P2.C8H5Cl2O2P.C6H8N3P/c1-3-12-4-13(6-17(22)5-12)7-18(21)15-8-14(11(2)20)9-16(10-15)19-23;9-7(11)4-1-5(8(10)12)3-6(13)2-4;7-4-1-5(8)3-6(2-4)9-10/h4-6,8-10,23H,3,7,22H2,1-2H3;1-3H,13H2;1-3,10H,7-8H2
InChIKeyISOZQLDNTRPHML-UHFFFAOYSA-N
XLogP8.09
TPSA145.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.43
LogP ≤ 58.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-acetyl-5-[2-(3-ethylphenyl)acetyl]phenyl]-2-phenylethanone;aniline;benzene-1,3-diamine;benzene-1,3,5-tricarbonyl chloride
CID 160908456
(3,5-diethylphenyl)phosphane
CID 20818145
1-aminopropan-2-ol;aniline;benzene-1,3-diamine;1-(3,5-diacetylphenyl)ethanone;1-[3-[2-(3-ethylphenyl)acetyl]-5-(2-phenylacetyl)phenyl]-4-hydroxypentan-1-one
CID 158739729
1-[3-ethyl-5-(methoxymethyl)phenyl]ethanone
CID 89361495
1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone
CID 145137621
4-acetylbenzoyl chloride;benzene-1,3,5-tricarbonyl chloride
CID 161034366
methyl 3-amino-5-(2-hydroxyacetyl)benzoate
CID 90265389
1-[3-amino-5-(chloromethyl)phenyl]propan-2-one
CID 131010312
ethyl 3-acetyl-5-(4-hydroxybutanoyl)benzoate
CID 58035777
1-[3-amino-5-(2-methoxyethoxy)phenyl]ethanone
CID 88985945
acetonitrile;benzene-1,3,5-tricarbonyl chloride
CID 175195500
1-(3-amino-5-bromophenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116597271

Frequently Asked Questions

What is the IUPAC name of 1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine?
The IUPAC name of 1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine (CID 158793638) is 1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine.
What is the SMILES notation for 1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine?
The canonical SMILES for 1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine is O=C(Cl)c1cc(P)cc(C(=O)Cl)c1.[H]/P=N/c1cc(C(C)=O)cc(C(=O)Cc2cc(P)cc(CC)c2)c1.[H]/P=N/c1cc(N)cc(N)c1.
What is the InChIKey of 1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine?
The InChIKey is ISOZQLDNTRPHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2P2.C8H5Cl2O2P.C6H8N3P/c1-3-12-4-13(6-17(22)5-12)7-18(21)15-8-14(11(2)20)9-16(10-15)19-23;9-7(11)4-1-5(8(10)12)3-6(13)2-4;7-4-1-5(8)3-6(2-4)9-10/h4-6,8-10,23H,3,7,22H2,1-2H3;1-3H,13H2;1-3,10H,7-8H2.
What are the key properties of 1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine?
1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine has a molecular weight of 731.43 g/mol, XLogP of 8.09, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-acetyl-5-(phosphanylideneamino)phenyl]-2-(3-ethyl-5-phosphanylphenyl)ethanone;5-phosphanylbenzene-1,3-dicarbonyl chloride;5-(phosphanylideneamino)benzene-1,3-diamine is sourced from PubChem (CID 158793638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).