chempirical

Segphos

C38H28O4P2CAS 244261-66-3610.59 g/mol

Open in Covalent MOL file
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AcetalEtherPhosphine

Properties

Molecular formula
C38H28O4P2
Molar mass
610.59 g/mol
Exact mass
610.1463 Da
logP
6.33Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

Identifiers

CAS number
244261-66-3
SMILES
c1ccc(P(c2ccccc2)c2ccc3c(c2-c2c(P(c4ccccc4)c4ccccc4)ccc4c2OCO4)OCO3)cc1
InChIKey
RZZDRSHFIVOQAF-UHFFFAOYSA-N
InChI
InChI=1S/C38H28O4P2/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H,25-26H2

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Names and synonyms

5 names
  • Phosphine, 1,1′-[(4R)-[4,4′-bi-1,3-benzodioxole]-5,5′-diyl]bis[1,1-diphenyl-
  • Phosphine, [(4R)-[4,4′-bi-1,3-benzodioxole]-5,5′-diyl]bis[diphenyl-
  • 1,1′-[(4R)-[4,4′-Bi-1,3-benzodioxole]-5,5′-diyl]bis[1,1-diphenylphosphine]
  • (R)-(+)-SEGPHOS
  • (R)-SEGPHOS

Work with Segphos

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1′-[(4S)-2,2,2′,2′-Tetrafluoro[4,4′-bi-1,3-benzodioxole]-5,5′-diyl]bis[1,1-diphenylphosphine]503538-70-353 % similar (-)-Binap76189-56-543 % similar Binap98327-87-843 % similar Dpephos166330-10-543 % similar 1,3-Benzodioxole274-09-939 % similar [(R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl]palladium(II) chloride115826-95-437 % similar ((R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl)palladium(II) chloride127593-28-637 % similar Dichloro[(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium (II)132071-87-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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