CC(C)(C)OC(=O)N1CC(CC1CP(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5
CAS: 890090-40-1
Name: tert-butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CC(CC1CP(C2=CC=CC=C2)C3=CC=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5

Molecular Processing

Molecular formula
C34H37NO2P2
Molecular weight
553.62
Exact mass
553.23
XLogP
6.63
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.265
Molar refractivity
168.14

Supplementary Information

InChIKey: BFMKBYZEJOQYIM-UHFFFAOYSA-N
Synonyme
tert-Butyl 4-(diphenylphosphanyl)-2-((diphenylphosphanyl)methyl)pyrrolidine-1-carboxylate890090-40-1Tert-butyl 4-diphenylphosphanyl-2-(diphenylphosphanylmethyl)pyrrolidine-1-carboxylateSCHEMBL996503BFMKBYZEJOQYIM-UHFFFAOYSA-N1-t-butoxycarbonyl-4-diphenylphosphino-2-diphenylphosphinomethylpyrrolidineN-(t-butoxycarbonyl)-4-(diphenylphosphino)-2-[(diphenylphosphino)methyl]pyrrolidine
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