1,15-Bis(diphenylphosphino)-7,8,9,10-tetrahydro-6H-dibenzo[b,d][1,6]dioxacycloundecine

Catalog Number	ACM905714092
CAS	905714-09-2
Synonyms	2,2'-Bis(Diphenylphosphino)-6,6'-(Pentamethylenebisoxy)Biphenyl
IUPAC Name	(19-diphenylphosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-diphenylphosphane
Molecular Weight	622.67
Molecular Formula	C41H36O2P2
InChI	ZJSLWYGVDOSDNF-UHFFFAOYSA-N
InChI Key	InChI=1S/C41H36O2P2/c1-6-18-32(19-7-1)44(33-20-8-2-9-21-33)38-28-16-26-36-40(38)41-37(43-31-15-5-14-30-42-36)27-17-29-39(41)45(34-22-10-3-11-23-34)35-24-12-4-13-25-35/h1-4,6-13,16-29H,5,14-15,30-31H2
Purity	98%
Isomeric SMILES	C1CCOC2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)OCC1

Q&A

What is the molecular formula of (15aR)-1,15-Bis(diphenylphosphino)-7,8,9,10-tetrahydro-6H-dibenzo[b,d][1,6]dioxacycloundecine?

The molecular formula is C41H36O2P2.

What is the molecular weight of (15aR)-1,15-Bis(diphenylphosphino)-7,8,9,10-tetrahydro-6H-dibenzo[b,d][1,6]dioxacycloundecine?

The molecular weight is 622.7g/mol.

How many hydrogen bond acceptors does (15aR)-1,15-Bis(diphenylphosphino)-7,8,9,10-tetrahydro-6H-dibenzo[b,d][1,6]dioxacycloundecine have?

It has 2 hydrogen bond acceptors.

How many rotatable bonds are present in the structure of (15aR)-1,15-Bis(diphenylphosphino)-7,8,9,10-tetrahydro-6H-dibenzo[b,d][1,6]dioxacycloundecine?

There are 6 rotatable bonds.

What is the XLogP3 value of (15aR)-1,15-Bis(diphenylphosphino)-7,8,9,10-tetrahydro-6H-dibenzo[b,d][1,6]dioxacycloundecine?

The XLogP3 value is 9.7.

What is the Canonical SMILES representation of the compound?

C1CCOC2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)OCC1

What is the IUPAC name of (15aR)-1,15-Bis(diphenylphosphino)-7,8,9,10-tetrahydro-6H-dibenzo[b,d][1,6]dioxacycloundecine?

The IUPAC name is (19-diphenylphosphanyl-8,14-dioxatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,16,18-hexaen-3-yl)-diphenylphosphane.

What is the InChIKey for (15aR)-1,15-Bis(diphenylphosphino)-7,8,9,10-tetrahydro-6H-dibenzo[b,d][1,6]dioxacycloundecine?

The InChIKey is ZJSLWYGVDOSDNF-UHFFFAOYSA-N.

How many covalently-bonded units are present in the structure of the compound?

There is 1 covalently-bonded unit.

What are some synonyms used for (15aR)-1,15-Bis(diphenylphosphino)-7,8,9,10-tetrahydro-6H-dibenzo[b,d][1,6]dioxacycloundecine?

Some synonyms are (R)-C5-TunaPhos, 7,8,9,10-Tetrahydro-6H-dibenzo[b,d][1,6]dioxacycloundecine-1,15-diylbis(diphenylphosphine), and SCHEMBL13243539.