Tribenzylphosphine oxide

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CAS Number

4538-55-0

MDL Number

MFCD00014438

Smiles

O=P (Cc1ccccc1) (Cc2ccccc2) Cc3ccccc3

Chemical Information

Phosphine oxide, tribenzyl-

CAS Number	4538-55-0
PubChem CID	99393
IUPAC Name	dibenzylphosphorylmethylbenzene
Molecular Formula	C21H21OP
Molecular Weight	320.4
XLogP	3.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	316

SMILES

C1=CC=C(C=C1)CP(=O)(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21OP/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2

InChIKey

RDLZJCXTAYHYHX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4538-55-0

CID: 99393

Formula: C21H21OP

MW: 320.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.4
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	320.133002287
Monoisotopic Mass	320.133002287
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	316
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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