Synonyms
1,3-Bis(diphenylphosphino)-2-(diphenylphosphino)methyl-2-methylpropane; Triphos
IUPAC Name
[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane
Molecular Weight
624.67
Molecular Formula
C41H39P3
Canonical SMILES
CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6;
InChI
BARUNXKDFNLHEV-UHFFFAOYSA-N
InChI Key
InChI=1S/C41H39P3/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40/h2-31H,32-34H2,1H3
Boiling Point
709.9±55.0 °C(Predicted)
Melting Point
99-102 °C(lit.)
Purity
98%
Density
1.19 g/cm3
Appearance
Solid
Complexity
619
Covalently-Bonded Unit Count
1
Exact Mass
624.226g/mol
Heavy Atom Count
44
Isomeric SMILES
CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6
Monoisotopic Mass
624.226g/mol
NSC Number
158168
Rotatable Bond Count
12
Topological Polar Surface Area
0A^2
