(16aR)-1,16-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12-octahydrodibenzo[b,d][1,6]diazacyclododecine

Catalog Number	ACM331769198
CAS	331769-19-8
Synonyms	(20-Diphenylphosphanyl-8,15-diazatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane
IUPAC Name	(20-diphenylphosphanyl-8,15-diazatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane
Molecular Weight	634.73
Molecular Formula	C42H40N2P2
InChI	BUIIEHUBLBYWLX-UHFFFAOYSA-N
InChI Key	InChI=1S/C42H40N2P2/c1-2-16-32-44-38-28-18-30-40(46(35-23-11-5-12-24-35)36-25-13-6-14-26-36)42(38)41-37(43-31-15-1)27-17-29-39(41)45(33-19-7-3-8-20-33)34-21-9-4-10-22-34/h3-14,17-30,43-44H,1-2,15-16,31-32H2
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)NCC1

Q&A

What is the molecular formula of (16aR)-1,16-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12-octahydrodibenzo[b,d][1,6]diazacyclododecine?

The molecular formula is C42H40N2P2.

What is the molecular weight of (16aR)-1,16-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12-octahydrodibenzo[b,d][1,6]diazacyclododecine?

The molecular weight is 634.7g/mol.

What is the exact mass of (16aR)-1,16-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12-octahydrodibenzo[b,d][1,6]diazacyclododecine?

The exact mass is 634.26667328.

How many hydrogen bond acceptors does (16aR)-1,16-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12-octahydrodibenzo[b,d][1,6]diazacyclododecine have?

It has 2 hydrogen bond acceptors.

How many rotatable bonds does (16aR)-1,16-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12-octahydrodibenzo[b,d][1,6]diazacyclododecine have?

It has 6 rotatable bonds.

What is the Canonical SMILES representation of (16aR)-1,16-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12-octahydrodibenzo[b,d][1,6]diazacyclododecine?

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)NCC1

What is the InChI key of (16aR)-1,16-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12-octahydrodibenzo[b,d][1,6]diazacyclododecine?

The InChI key is BUIIEHUBLBYWLX-UHFFFAOYSA-N.

How many hydrogen bond donors does (16aR)-1,16-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12-octahydrodibenzo[b,d][1,6]diazacyclododecine have?

It has 2 hydrogen bond donors.

What is the Computed Properties XLogP3 value of (16aR)-1,16-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12-octahydrodibenzo[b,d][1,6]diazacyclododecine?

The XLogP3 value is 10.1.

What are some other synonyms for (16aR)-1,16-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12-octahydrodibenzo[b,d][1,6]diazacyclododecine?

Some other synonyms include 331769-19-8 and 1,16-Bis(diphenylphosphino)-5,6,7,8,9,10,11,12-octahydrodibenzo[b,d][1,6]diazacyclododecine.