AdBrettPhos

C₄₃H₆₁O₂PCAS 1160861-59-5640.93 g/mol

Open in Covalent MOL file

Ether Phosphine

Properties

Molecular formula: C₄₃H₆₁O₂P
Molar mass: 640.93 g/mol
Exact mass: 640.4409 Da
logP: 11.79Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 9

Identifiers

CAS number

1160861-59-5

SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7)OC)OC)C(C)C

InChIKey

NMGHOZQCYNKWBG-UHFFFAOYSA-N

InChI

InChI=1S/C43H61O2P/c1-25(2)34-17-35(26(3)4)39(36(18-34)27(5)6)40-37(44-7)9-10-38(45-8)41(40)46(42-19-28-11-29(20-42)13-30(12-28)21-42)43-22-31-14-32(23-43)16-33(15-31)24-43/h9-10,17-18,25-33H,11-16,19-24H2,1-8H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-(Di-1-adamantylphosphino)-3,6-dimethoxy-2',4',6'-tri-I-propyl-1,1'-biphenyl, min. 95% adbrettphos

Work with AdBrettPhos

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

Dicyclohexyl[3,6-dimethoxy-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine1070663-78-360 % similar 2-(Di-T-butylphosphino)-3-methoxy-6-methyl-2',4',6'-tri-I-propyl-1,1'-biphenyl1262046-34-357 % similar Brettphospalladacycle1148148-01-943 % similar 2-(1-Adamantyl)-4-bromoanisole104224-63-736 % similar Xphos564483-18-733 % similar 4-Isopropylanisole4132-48-331 % similar N-[2-(Di-1-adamantylphosphino) phenyl]morpholine,98% mor-dalphos1237588-12-330 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook