(-)-1,13-Bis(di-p-tolylphosphino)-7,8-dihydro-6H-dibenzo[f,h][1,5]dioxonine

Catalog Number	ACM337359612
CAS	337359-61-2
Synonyms	Phosphine, (7,8-dihydro-6H-dibenzo[f,h][1,5]dioxonin-1,13-diyl)bis[bis(4-methylphenyl)-, (-)- (9CI)
IUPAC Name	[17-bis(4-methylphenyl)phosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(4-methylphenyl)phosphane
Molecular Weight	650.72
Molecular Formula	C43H40O2P2
InChI	PAXPGFICITVKQX-UHFFFAOYSA-N
InChI Key	InChI=1S/C43H40O2P2/c1-30-12-20-34(21-13-30)46(35-22-14-31(2)15-23-35)40-10-5-8-38-42(40)43-39(45-29-7-28-44-38)9-6-11-41(43)47(36-24-16-32(3)17-25-36)37-26-18-33(4)19-27-37/h5-6,8-27H,7,28-29H2,1-4H3
Boiling Point	739.7±60.0 °C(Predicted)
Purity	98%
Isomeric SMILES	CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=CC4=C3C5=C(C=CC=C5P(C6=CC=C(C=C6)C)C7=CC=C(C=C7)C)OCCCO4

Q&A

What is the InChIKey of (-)-1,13-Bis(di-p-tolylphosphino)-7,8-dihydro-6H-dibenzo[f,h][1,5]dioxonine?

The InChIKey is PAXPGFICITVKQX-UHFFFAOYSA-N.

What is the molecular formula of (-)-1,13-Bis(di-p-tolylphosphino)-7,8-dihydro-6H-dibenzo[f,h][1,5]dioxonine?

The molecular formula is C43H40O2P2.

What is the molecular weight of (-)-1,13-Bis(di-p-tolylphosphino)-7,8-dihydro-6H-dibenzo[f,h][1,5]dioxonine?

The molecular weight is 650.7g/mol.

What is the exact mass of (-)-1,13-Bis(di-p-tolylphosphino)-7,8-dihydro-6H-dibenzo[f,h][1,5]dioxonine?

The exact mass is 650.25035451.

Can you provide the IUPAC name of (-)-1,13-Bis(di-p-tolylphosphino)-7,8-dihydro-6H-dibenzo[f,h][1,5]dioxonine?

The IUPAC name is [17-bis(4-methylphenyl)phosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl]-bis(4-methylphenyl)phosphane.

What is the Canonical SMILES of (-)-1,13-Bis(di-p-tolylphosphino)-7,8-dihydro-6H-dibenzo[f,h][1,5]dioxonine?

The Canonical SMILES is CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=CC4=C3C5=C(C=CC=C5P(C6=CC=C(C=C6)C)C7=CC=C(C=C7)C)OCCCO4.

How many hydrogen bond acceptors are present in (-)-1,13-Bis(di-p-tolylphosphino)-7,8-dihydro-6H-dibenzo[f,h][1,5]dioxonine?

There are 2 hydrogen bond acceptors.

What is the XLogP3 value of (-)-1,13-Bis(di-p-tolylphosphino)-7,8-dihydro-6H-dibenzo[f,h][1,5]dioxonine?

The XLogP3 value is 10.5.

How many rotatable bonds are there in (-)-1,13-Bis(di-p-tolylphosphino)-7,8-dihydro-6H-dibenzo[f,h][1,5]dioxonine?

There are 6 rotatable bonds.