(17aR)-1,17-Bis(diphenylphosphino)-6,7,8,9,10,11,12,13-octahydro-5H-dibenzo[b,d][1,6]diazacyclotridecine

Catalog Number	ACM331769212
CAS	331769-21-2
Synonyms	5H-Dibenzo[b,d][1,6]diazacyclotridecine, 1,17-bis(diphenylphosphino)-6,7,8,9,10,11,12,13-octahydro-, (17aR)- (9CI)
IUPAC Name	(21-diphenylphosphanyl-8,16-diazatricyclo[15.4.0.02,7]henicosa-1(17),2(7),3,5,18,20-hexaen-3-yl)-diphenylphosphane
Molecular Weight	648.76
Molecular Formula	C43H42N2P2
InChI	BFICRVYQJYTUFV-UHFFFAOYSA-N
InChI Key	InChI=1S/C43H42N2P2/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/h4-15,18-31,44-45H,1-3,16-17,32-33H2
Purity	98%
Isomeric SMILES	C1CCCNC2=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)NCCC1

Q&A

What is the IUPAC name of (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine?

The IUPAC name of (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine is (21-diphenylphosphanyl-8,16-diazatricyclo[15.4.0.02,7]henicosa-1(17),2(7),3,5,18,20-hexaen-3-yl)-diphenylphosphane.

What is the molecular formula of (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine?

The molecular formula of (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine is C43H42N2P2.

What is the exact mass of (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine?

The exact mass of (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine is 648.28232334.

How many heavy atoms are present in (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine?

There are 47 heavy atoms present in (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine.

What is the Canonical SMILES representation of (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine?

The Canonical SMILES of (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine is C1CCCNC2=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)NCCC1.

How many rotatable bonds are in (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine?

There are 6 rotatable bonds in (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine.

What is the computed XLogP3 of (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine?

The computed XLogP3 of (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine is 10.6.

How many hydrogen bond donor counts does (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine have?

(16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine has 2 hydrogen bond donor counts.

What is the topological polar surface area of (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine?

The topological polar surface area of (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine is 24.1.

What is the InChIKey of (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine?

The InChIKey of (16aR)-1,16-Bis(diphenylphosphino)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecine is BFICRVYQJYTUFV-UHFFFAOYSA-N.