2,13-Bis(diphenylphosphino)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine

Catalog Number	ACM134988866
CAS	134988-86-6
Synonyms	(24-Diphenylphosphanyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl)-diphenylphosphane
IUPAC Name	(24-diphenylphosphanyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl)-diphenylphosphane
Molecular Weight	728.75
Molecular Formula	C44H42O6P2
InChI	YDLJXVSEOABRGQ-UHFFFAOYSA-N
InChI Key	InChI=1S/C44H42O6P2/c1-5-13-35(14-6-1)51(36-15-7-2-8-16-36)39-21-23-41-43(33-39)49-31-27-45-26-30-48-42-24-22-40(34-44(42)50-32-28-46-25-29-47-41)52(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-24,33-34H,25-32H2
Purity	98%
Isomeric SMILES	C1COC2=C(C=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OCCOCCOC5=C(C=C(C=C5)P(C6=CC=CC=C6)C7=CC=CC=C7)OCCO1

Q&A

What is the molecular formula of 2,13-Bis(diphenylphosphino)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine 2,13-Bis(diphenylphosphino)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine?

The molecular formula is C44H42O6P2.

What is the exact mass of 2,13-Bis(diphenylphosphino)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine?

The exact mass is 728.24566305 g/mol.

What is the Canonical SMILES of 2,13-Bis(diphenylphosphino)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine?

The Canonical SMILES is C1COC2=C(C=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OCCOCCOC5=C(C=C(C=C5)P(C6=CC=CC=C6)C7=CC=CC=C7)OCCO1.

How many Heavy Atoms are present in 2,13-Bis(diphenylphosphino)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine?

There are 52 Heavy Atoms in 2,13-Bis(diphenylphosphino)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine.

What is the Computed Properties XLogP3 value?

The XLogP3 value is 8.4.

How many Rotatable Bond Counts are there in 2,13-Bis(diphenylphosphino)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine?

There are 6 Rotatable Bond Counts in 2,13-Bis(diphenylphosphino)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine.

What is the Depositor-Supplied Synonym for 2,13-Bis(diphenylphosphino)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine?

The Depositor-Supplied Synonym is 134988-86-6.

What is the InChIKey of 2,13-Bis(diphenylphosphino)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine?

The InChIKey is YDLJXVSEOABRGQ-UHFFFAOYSA-N.

How many Atom Stereocenter Count are defined in 2,13-Bis(diphenylphosphino)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine?

There are 0 Defined Atom Stereocenter Counts in 2,13-Bis(diphenylphosphino)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine.

What is the IUPAC Name of 2,13-Bis(diphenylphosphino)-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine?

The IUPAC Name is (24-diphenylphosphanyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl)-diphenylphosphane.