tris(3-aminophenyl) phosphite

C18H18N3O3P — CID 21288374

IUPACtris(3-aminophenyl) phosphite
SMILESNc1cccc(OP(Oc2cccc(N)c2)Oc2cccc(N)c2)c1
InChIInChI=1S/C18H18N3O3P/c19-13-4-1-7-16(10-13)22-25(23-17-8-2-5-14(20)11-17)24-18-9-3-6-15(21)12-18/h1-12H,19-21H2
InChIKeyDJAQSKNYTCQYLA-UHFFFAOYSA-N
MW355.33 g/mol
LogP4.20
Rot. Bonds6

About tris(3-aminophenyl) phosphite

tris(3-aminophenyl) phosphite (PubChem CID 21288374) has the molecular formula C18H18N3O3P and a molecular weight of 355.33 g/mol. Its IUPAC name is tris(3-aminophenyl) phosphite.

Molecular Properties

Compound Nametris(3-aminophenyl) phosphite
PubChem CID21288374
Molecular FormulaC18H18N3O3P
Molecular Weight355.33 g/mol
Exact Mass355.11
IUPAC Nametris(3-aminophenyl) phosphite
SMILESNc1cccc(OP(Oc2cccc(N)c2)Oc2cccc(N)c2)c1
InChIInChI=1S/C18H18N3O3P/c19-13-4-1-7-16(10-13)22-25(23-17-8-2-5-14(20)11-17)24-18-9-3-6-15(21)12-18/h1-12H,19-21H2
InChIKeyDJAQSKNYTCQYLA-UHFFFAOYSA-N
XLogP4.20
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(3-aminophenyl) phosphite?
The IUPAC name of tris(3-aminophenyl) phosphite (CID 21288374) is tris(3-aminophenyl) phosphite.
What is the SMILES notation for tris(3-aminophenyl) phosphite?
The canonical SMILES for tris(3-aminophenyl) phosphite is Nc1cccc(OP(Oc2cccc(N)c2)Oc2cccc(N)c2)c1.
What is the InChIKey of tris(3-aminophenyl) phosphite?
The InChIKey is DJAQSKNYTCQYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N3O3P/c19-13-4-1-7-16(10-13)22-25(23-17-8-2-5-14(20)11-17)24-18-9-3-6-15(21)12-18/h1-12H,19-21H2.
What are the key properties of tris(3-aminophenyl) phosphite?
tris(3-aminophenyl) phosphite has a molecular weight of 355.33 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-aminophenyl) phosphite is sourced from PubChem (CID 21288374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).