((6R,8R,13aS)-6,8-Dimethyl-7,8-dihydro-6H-Dibenzo[f,h][1,5]dioxonine-1,13-diyl)bis(diphenylphosphine)

Catalog Number	ACM827322509
CAS	827322-50-9
Synonyms	2,2'-Bis(Diphenylphosphino)-6,6'-[[(1R,3R)-1,3-Dimethylpropane-1,3-Diyl]Bisoxy]Biphenyl
IUPAC Name	[(9R,11R)-17-diphenylphosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-diphenylphosphane
Molecular Weight	622.67
Molecular Formula	C41H36O2P2
InChI	LFTYQEBATLFANJ-FIRIVFDPSA-N
InChI Key	InChI=1S/C41H36O2P2/c1-30-29-31(2)43-37-26-16-28-39(45(34-21-11-5-12-22-34)35-23-13-6-14-24-35)41(37)40-36(42-30)25-15-27-38(40)44(32-17-7-3-8-18-32)33-19-9-4-10-20-33/h3-28,30-31H,29H2,1-2H3/t30-,31-/m1/s1
Boiling Point	717.5±60.0 °C(Predicted)
Purity	98%
Isomeric SMILES	C[C@@H]1C[C@H](OC2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(O1)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C

Q&A

What is the IUPAC name of ((6R,8R,13aS)-6,8-Dimethyl-7,8-dihydro-6H-Dibenzo[f,h][1,5]dioxonine-1,13-diyl)bis(diphenylphosphine)?

The IUPAC name is [(9R,11R)-17-diphenylphosphanyl-9,11-dimethyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-diphenylphosphane.

What is the molecular formula of ((6R,8R,13aS)-6,8-Dimethyl-7,8-dihydro-6H-Dibenzo[f,h][1,5]dioxonine-1,13-diyl)bis(diphenylphosphine)?

The molecular formula is C41H36O2P2.

What is the molecular weight of ((6R,8R,13aS)-6,8-Dimethyl-7,8-dihydro-6H-Dibenzo[f,h][1,5]dioxonine-1,13-diyl)bis(diphenylphosphine)?

The molecular weight is 622.7g/mol.

What is the canonical SMILES of ((6R,8R,13aS)-6,8-Dimethyl-7,8-dihydro-6H-Dibenzo[f,h][1,5]dioxonine-1,13-diyl)bis(diphenylphosphine)?

The canonical SMILES is CC1CC(OC2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(O1)C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C.

How many heavy atoms are present in ((6R,8R,13aS)-6,8-Dimethyl-7,8-dihydro-6H-Dibenzo[f,h][1,5]dioxonine-1,13-diyl)bis(diphenylphosphine)?

There are 45 heavy atoms in ((6R,8R,13aS)-6,8-Dimethyl-7,8-dihydro-6H-Dibenzo[f,h][1,5]dioxonine-1,13-diyl)bis(diphenylphosphine).

What is the topological polar surface area of ((6R,8R,13aS)-6,8-Dimethyl-7,8-dihydro-6H-Dibenzo[f,h][1,5]dioxonine-1,13-diyl)bis(diphenylphosphine)?

The topological polar surface area is 18.5.

How many defined atom stereocenters are present in ((6R,8R,13aS)-6,8-Dimethyl-7,8-dihydro-6H-Dibenzo[f,h][1,5]dioxonine-1,13-diyl)bis(diphenylphosphine)?

There are 2 defined atom stereocenters.

How many rotatable bonds are present in ((6R,8R,13aS)-6,8-Dimethyl-7,8-dihydro-6H-Dibenzo[f,h][1,5]dioxonine-1,13-diyl)bis(diphenylphosphine)?

There are 6 rotatable bonds.

What is the formal charge of ((6R,8R,13aS)-6,8-Dimethyl-7,8-dihydro-6H-Dibenzo[f,h][1,5]dioxonine-1,13-diyl)bis(diphenylphosphine)?

The formal charge is 0.

What is the exact mass of ((6R,8R,13aS)-6,8-Dimethyl-7,8-dihydro-6H-Dibenzo[f,h][1,5]dioxonine-1,13-diyl)bis(diphenylphosphine)?

The exact mass is 622.21905438.