tris[(4-aminophenyl)methyl] phosphite

C21H24N3O3P — CID 139990788

IUPACtris[(4-aminophenyl)methyl] phosphite
SMILESNc1ccc(COP(OCc2ccc(N)cc2)OCc2ccc(N)cc2)cc1
InChIInChI=1S/C21H24N3O3P/c22-19-7-1-16(2-8-19)13-25-28(26-14-17-3-9-20(23)10-4-17)27-15-18-5-11-21(24)12-6-18/h1-12H,13-15,22-24H2
InChIKeyCQXMHHMIHGRDFP-UHFFFAOYSA-N
MW397.42 g/mol
LogP4.61
Rot. Bonds9

About tris[(4-aminophenyl)methyl] phosphite

tris[(4-aminophenyl)methyl] phosphite (PubChem CID 139990788) has the molecular formula C21H24N3O3P and a molecular weight of 397.42 g/mol. Its IUPAC name is tris[(4-aminophenyl)methyl] phosphite.

Molecular Properties

Compound Nametris[(4-aminophenyl)methyl] phosphite
PubChem CID139990788
Molecular FormulaC21H24N3O3P
Molecular Weight397.42 g/mol
Exact Mass397.16
IUPAC Nametris[(4-aminophenyl)methyl] phosphite
SMILESNc1ccc(COP(OCc2ccc(N)cc2)OCc2ccc(N)cc2)cc1
InChIInChI=1S/C21H24N3O3P/c22-19-7-1-16(2-8-19)13-25-28(26-14-17-3-9-20(23)10-4-17)27-15-18-5-11-21(24)12-6-18/h1-12H,13-15,22-24H2
InChIKeyCQXMHHMIHGRDFP-UHFFFAOYSA-N
XLogP4.61
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tribenzyl phosphite
CID 11810300
4-[[(4-aminophenyl)methoxy-ethynylphosphanyl]oxymethyl]aniline;aniline
CID 142297048
4-(phenylmethoxymethyl)aniline
CID 11701294
4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
4-(deuteriomethoxymethyl)aniline;ethane
CID 90857489
4-(phenoxymethyl)aniline
CID 12712561
4-(2,2-difluoroethoxymethyl)aniline
CID 60921613
4-[(4-aminophenyl)methyl]aniline;methane
CID 141439099
4-[(4-aminophenyl)methyl]aniline;hydrazine
CID 70467747
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
4-[(3-iodophenoxy)methyl]aniline
CID 43144814
(4-aminophenyl)methanethiol
CID 19101446

Frequently Asked Questions

What is the IUPAC name of tris[(4-aminophenyl)methyl] phosphite?
The IUPAC name of tris[(4-aminophenyl)methyl] phosphite (CID 139990788) is tris[(4-aminophenyl)methyl] phosphite.
What is the SMILES notation for tris[(4-aminophenyl)methyl] phosphite?
The canonical SMILES for tris[(4-aminophenyl)methyl] phosphite is Nc1ccc(COP(OCc2ccc(N)cc2)OCc2ccc(N)cc2)cc1.
What is the InChIKey of tris[(4-aminophenyl)methyl] phosphite?
The InChIKey is CQXMHHMIHGRDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N3O3P/c22-19-7-1-16(2-8-19)13-25-28(26-14-17-3-9-20(23)10-4-17)27-15-18-5-11-21(24)12-6-18/h1-12H,13-15,22-24H2.
What are the key properties of tris[(4-aminophenyl)methyl] phosphite?
tris[(4-aminophenyl)methyl] phosphite has a molecular weight of 397.42 g/mol, XLogP of 4.61, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(4-aminophenyl)methyl] phosphite is sourced from PubChem (CID 139990788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).