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N-(1-{3',5'-di-tert-butyl-4'-methoxy-[1,1'-biphenyl]-2-yl}-2-(diphenylphosphanyl)ethyl)-2-methylpropane-2-sulfinamide

N-(1-{3',5'-di-tert-butyl-4'-methoxy-[1,1'-biphenyl]-2-yl}-2-(diphenylphosphanyl)ethyl)-2-methylpropane-2-sulfinamide

Formula: C39H50NO2PS

SMILES: COC1=C(C=C(C=C1C(C)(C)C)C1=CC=CC=C1C(CP(C1=CC=CC=C1)C1=CC=CC=C1)NS(=O)C(C)(C)C)C(C)(C)C

IUPAC: N-(1-{3',5'-di-tert-butyl-4'-methoxy-[1,1'-biphenyl]-2-yl}-2-(diphenylphosphanyl)ethyl)-2-methylpropane-2-sulfinamide

InChI: InChI=1/C39H50NO2PS/c1-37(2,3)33-25-28(26-34(36(33)42-10)38(4,5)6)31-23-17-18-24-32(31)35(40-44(41)39(7,8)9)27-43(29-19-13-11-14-20-29)30-21-15-12-16-22-30/h11-26,35,40H,27H2,1-10H3

Composition: C (74.61%), H (8.03%), N (2.23%), O (5.10%), P (4.93%), S (5.11%)

Molar Mass: 627.87

Atom Count: 94

Heavy Atom Count: 44

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 2
Exact Mass 627.329988026
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey VXLTVDIYSIOQSB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 188.84
Topological Polar Surface Area 38.33
Polarizability 76.2
Ring Count 4
Rotatable Bond Count 11

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