tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite

C30H30N3O6Sb — CID 172860369

IUPACtris[4-(2-methylprop-2-enoylamino)phenyl] stiborite
SMILESC=C(C)C(=O)Nc1ccc(O[Sb](Oc2ccc(NC(=O)C(=C)C)cc2)Oc2ccc(NC(=O)C(=C)C)cc2)cc1
InChIInChI=1S/3C10H11NO2.Sb/c3*1-7(2)10(13)11-8-3-5-9(12)6-4-8;/h3*3-6,12H,1H2,2H3,(H,11,13);/q;;;+3/p-3
InChIKeyZGPQAZMPOSFYRH-UHFFFAOYSA-K
MW650.34 g/mol
LogP5.75
Rot. Bonds12

About tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite

tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite (PubChem CID 172860369) has the molecular formula C30H30N3O6Sb and a molecular weight of 650.34 g/mol. Its IUPAC name is tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite.

Molecular Properties

Compound Nametris[4-(2-methylprop-2-enoylamino)phenyl] stiborite
PubChem CID172860369
Molecular FormulaC30H30N3O6Sb
Molecular Weight650.34 g/mol
Exact Mass649.12
IUPAC Nametris[4-(2-methylprop-2-enoylamino)phenyl] stiborite
SMILESC=C(C)C(=O)Nc1ccc(O[Sb](Oc2ccc(NC(=O)C(=C)C)cc2)Oc2ccc(NC(=O)C(=C)C)cc2)cc1
InChIInChI=1S/3C10H11NO2.Sb/c3*1-7(2)10(13)11-8-3-5-9(12)6-4-8;/h3*3-6,12H,1H2,2H3,(H,11,13);/q;;;+3/p-3
InChIKeyZGPQAZMPOSFYRH-UHFFFAOYSA-K
XLogP5.75
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.34
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4-(2-methylprop-2-enoylamino)phenoxy]boronic acid
CID 139688693
N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide
CID 139520073
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
tris[4-[1-[4-(2-methylprop-2-enoylamino)phenyl]ethyl]phenyl] phosphate
CID 91256523
N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide
CID 172831017
butyl 4-(2-methylprop-2-enoylamino)benzoate
CID 46708094
methylboronic acid;2-methyl-N-phenylprop-2-enamide
CID 159528809
methyl (E)-3-[4-(2-methylprop-2-enoylamino)phenyl]prop-2-enoate
CID 18329218
N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen
CID 142912025
3-methoxy-2-[4-(2-methylprop-2-enoylamino)anilino]-3-oxopropanoic acid
CID 23561542
[4-(2-methylprop-2-enoylamino)phenyl]sulfonyl-methylsulfonylazanide
CID 101364771

Frequently Asked Questions

What is the IUPAC name of tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite?
The IUPAC name of tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite (CID 172860369) is tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite.
What is the SMILES notation for tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite?
The canonical SMILES for tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite is C=C(C)C(=O)Nc1ccc(O[Sb](Oc2ccc(NC(=O)C(=C)C)cc2)Oc2ccc(NC(=O)C(=C)C)cc2)cc1.
What is the InChIKey of tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite?
The InChIKey is ZGPQAZMPOSFYRH-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H11NO2.Sb/c3*1-7(2)10(13)11-8-3-5-9(12)6-4-8;/h3*3-6,12H,1H2,2H3,(H,11,13);/q;;;+3/p-3.
What are the key properties of tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite?
tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite has a molecular weight of 650.34 g/mol, XLogP of 5.75, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[4-(2-methylprop-2-enoylamino)phenyl] stiborite is sourced from PubChem (CID 172860369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).