(17aR)-1,17-Bis(diphenylphosphino)-7,8,9,10,11,12-hexahydro-6H-dibenzo[b,d][1,6]dioxacyclotridecine

Catalog Number	ACM331768684
CAS	331768-68-4
IUPAC Name	(21-diphenylphosphanyl-8,16-dioxatricyclo[15.4.0.02,7]henicosa-1(17),2(7),3,5,18,20-hexaen-3-yl)-diphenylphosphane
Molecular Weight	650.72
Molecular Formula	C43H40O2P2
InChI	VCFCNDDCSXWQKZ-UHFFFAOYSA-N
InChI Key	InChI=1S/C43H40O2P2/c1-2-16-32-44-38-28-18-30-40(46(34-20-8-4-9-21-34)35-22-10-5-11-23-35)42(38)43-39(45-33-17-3-1)29-19-31-41(43)47(36-24-12-6-13-25-36)37-26-14-7-15-27-37/h4-15,18-31H,1-3,16-17,32-33H2
Purity	98%
Isomeric SMILES	C1CCCOC2=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)OCCC1

Q&A

What is the molecular formula of (17aR)-1,17-Bis(diphenylphosphino)-7,8,9,10,11,12-hexahydro-6H-dibenzo[b,d][1,6]dioxacyclotridecine?

The molecular formula is C43H40O2P2.

What is the molecular weight of (17aR)-1,17-Bis(diphenylphosphino)-7,8,9,10,11,12-hexahydro-6H-dibenzo[b,d][1,6]dioxacyclotridecine?

The molecular weight is 650.7g/mol.

What is the InChI key of (17aR)-1,17-Bis(diphenylphosphino)-7,8,9,10,11,12-hexahydro-6H-dibenzo[b,d][1,6]dioxacyclotridecine?

The InChI key is VCFCNDDCSXWQKZ-UHFFFAOYSA-N.

How many hydrogen bond acceptors does (17aR)-1,17-Bis(diphenylphosphino)-7,8,9,10,11,12-hexahydro-6H-dibenzo[b,d][1,6]dioxacyclotridecine have?

It has 2 hydrogen bond acceptors.

What is the XLogP3 value of (17aR)-1,17-Bis(diphenylphosphino)-7,8,9,10,11,12-hexahydro-6H-dibenzo[b,d][1,6]dioxacyclotridecine?

The XLogP3 value is 10.6.

What is the canonical SMILES representation of (17aR)-1,17-Bis(diphenylphosphino)-7,8,9,10,11,12-hexahydro-6H-dibenzo[b,d][1,6]dioxacyclotridecine?

The canonical SMILES is C1CCCOC2=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)OCCC1.

How many heavy atoms does (17aR)-1,17-Bis(diphenylphosphino)-7,8,9,10,11,12-hexahydro-6H-dibenzo[b,d][1,6]dioxacyclotridecine contain?

It contains 47 heavy atoms.

What are the depositor-supplied synonyms for (17aR)-1,17-Bis(diphenylphosphino)-7,8,9,10,11,12-hexahydro-6H-dibenzo[b,d][1,6]dioxacyclotridecine?

The synonyms include 331768-68-4 and 1,17-Bis(diphenylphosphino)-7,8,9,10,11,12-hexahydro-6H-dibenzo[b,d][1,6]dioxacyclotridecine.

How many rotatable bonds does (17aR)-1,17-Bis(diphenylphosphino)-7,8,9,10,11,12-hexahydro-6H-dibenzo[b,d][1,6]dioxacyclotridecine have?

It has 6 rotatable bonds.

What is the computed properties complexity of (17aR)-1,17-Bis(diphenylphosphino)-7,8,9,10,11,12-hexahydro-6H-dibenzo[b,d][1,6]dioxacyclotridecine?

The complexity is 767.