tris(1,1-diphenylpropyl) phosphite

C45H45O3P — CID 70574153

IUPACtris(1,1-diphenylpropyl) phosphite
SMILESCCC(OP(OC(CC)(c1ccccc1)c1ccccc1)OC(CC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H45O3P/c1-4-43(37-25-13-7-14-26-37,38-27-15-8-16-28-38)46-49(47-44(5-2,39-29-17-9-18-30-39)40-31-19-10-20-32-40)48-45(6-3,41-33-21-11-22-34-41)42-35-23-12-24-36-42/h7-36H,4-6H2,1-3H3
InChIKeyMUMSDLPBMXWFAJ-UHFFFAOYSA-N
MW664.83 g/mol
LogP12.32
Rot. Bonds15

About tris(1,1-diphenylpropyl) phosphite

tris(1,1-diphenylpropyl) phosphite (PubChem CID 70574153) has the molecular formula C45H45O3P and a molecular weight of 664.83 g/mol. Its IUPAC name is tris(1,1-diphenylpropyl) phosphite.

Molecular Properties

Compound Nametris(1,1-diphenylpropyl) phosphite
PubChem CID70574153
Molecular FormulaC45H45O3P
Molecular Weight664.83 g/mol
Exact Mass664.31
IUPAC Nametris(1,1-diphenylpropyl) phosphite
SMILESCCC(OP(OC(CC)(c1ccccc1)c1ccccc1)OC(CC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H45O3P/c1-4-43(37-25-13-7-14-26-37,38-27-15-8-16-28-38)46-49(47-44(5-2,39-29-17-9-18-30-39)40-31-19-10-20-32-40)48-45(6-3,41-33-21-11-22-34-41)42-35-23-12-24-36-42/h7-36H,4-6H2,1-3H3
InChIKeyMUMSDLPBMXWFAJ-UHFFFAOYSA-N
XLogP12.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.83
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-diphenylpropoxysilane
CID 123474464
CID 19591298
CID 19591298
(1-ethoxy-1-phenylpropyl)benzene;3-phenylpentan-3-ol
CID 67792118
1,1-diphenylhexoxy-bis(sulfanyl)phosphane
CID 54190731
1,1-diphenylbutoxy(ethyl)silane
CID 173126336
2-(1,1-diphenylpropoxy)ethyl propanoate
CID 174801671
[2-(2-ethoxyethoxy)-1,1-diphenylethyl] dihydrogen phosphite
CID 54137988
(4,4-dimethyl-2-phenylhexan-2-yl)benzene
CID 59841354
3-phenylpentan-3-ylstibane
CID 173061066
ethane;3-methylpentan-3-ylbenzene
CID 90745317
triethyl(2-phenylbutan-2-yl)boranuide
CID 135048393
2-hydroperoxybutan-2-ylbenzene
CID 15510207

Frequently Asked Questions

What is the IUPAC name of tris(1,1-diphenylpropyl) phosphite?
The IUPAC name of tris(1,1-diphenylpropyl) phosphite (CID 70574153) is tris(1,1-diphenylpropyl) phosphite.
What is the SMILES notation for tris(1,1-diphenylpropyl) phosphite?
The canonical SMILES for tris(1,1-diphenylpropyl) phosphite is CCC(OP(OC(CC)(c1ccccc1)c1ccccc1)OC(CC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tris(1,1-diphenylpropyl) phosphite?
The InChIKey is MUMSDLPBMXWFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H45O3P/c1-4-43(37-25-13-7-14-26-37,38-27-15-8-16-28-38)46-49(47-44(5-2,39-29-17-9-18-30-39)40-31-19-10-20-32-40)48-45(6-3,41-33-21-11-22-34-41)42-35-23-12-24-36-42/h7-36H,4-6H2,1-3H3.
What are the key properties of tris(1,1-diphenylpropyl) phosphite?
tris(1,1-diphenylpropyl) phosphite has a molecular weight of 664.83 g/mol, XLogP of 12.32, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,1-diphenylpropyl) phosphite is sourced from PubChem (CID 70574153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).