1,6-Bis(diphenylphosphino)hexane

C30H32P2CAS 19845-69-3454.53 g/mol

Open in Covalent MOL file
PP
Phosphine

Properties

Molecular formula
C30H32P2
Molar mass
454.53 g/mol
Exact mass
454.1979 Da
logP
6.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
11

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
19845-69-3
SMILES
C1=CC=C(C=C1)P(CCCCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChIKey
GPORFKPYXATYNX-UHFFFAOYSA-N
InChI
InChI=1S/C30H32P2/c1(15-25-31(27-17-7-3-8-18-27)28-19-9-4-10-20-28)2-16-26-32(29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-14,17-24H,1-2,15-16,25-26H2

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Work with 1,6-Bis(diphenylphosphino)hexane

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

1,5-Bis(diphenylphosphino)pentane27721-02-4100 % similar 1,4-Bis(diphenylphosphino)butane7688-25-794 % similar 1,3-Bis(diphenylphosphino)propane6737-42-484 % similar 1,2-Bis(diphenylphosphino)ethane1663-45-274 % similar 1,4-Bis(diphenylphosphino)butane-palladium(II) chloride29964-62-371 % similar Dichloro(1,1'-(1,3-propanediyl)bis(1,1-diphenylphosphine-kappaP))nickel15629-92-264 % similar (1,3-Bis(diphenylphosphino)propane)palladium(II) chloride59831-02-664 % similar Bis[1,2-bis(diphenylphosphino)ethane]palladium(0)31277-98-264 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook