1,1,1-Tris(diphenylphosphinomethyl)ethane

• CAS: 22031-12-5
• Catalog Number: ACM22031125-1
• Category: Other Products
• Molecular Weight: 624.67
• Molecular Formula: C41H39P3
• Synonyms: 1,3-Bis(diphenylphosphino)-2-(diphenylphosphino)methyl-2-methylpropane; Triphos
• IUPAC Name: [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane
• 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.)
• 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

Custom Q&A

What is the IUPAC name of 1,1,1-Tris(diphenylphosphinomethyl)ethane?

[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane

What is the Canonical SMILES of 1,1,1-Tris(diphenylphosphinomethyl)ethane?

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

What is the molecular formula of 1,1,1-Tris(diphenylphosphinomethyl)ethane?

C41H39P3

What is the molecular weight of 1,1,1-Tris(diphenylphosphinomethyl)ethane?

624.7g/mol

What is the CAS number of 1,1,1-Tris(diphenylphosphinomethyl)ethane?

22031-12-5

How many heavy atoms are present in 1,1,1-Tris(diphenylphosphinomethyl)ethane?

44

How many rotatable bond counts does 1,1,1-Tris(diphenylphosphinomethyl)ethane have?

12

What is the topological polar surface area of 1,1,1-Tris(diphenylphosphinomethyl)ethane?

0

What is the XLogP3 value of 1,1,1-Tris(diphenylphosphinomethyl)ethane?

9.4

What is the Wikipedia page for 1,1,1-Tris(diphenylphosphinomethyl)ethane?

1,1,1-Tris(diphenylphosphinomethyl)ethane