(11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine

Catalog Number	ACM444667338-1
CAS	444667-33-8
Structure
Synonyms	(2R,5R)-1-(11bR)-Dinaphtho[2,1-D:1',2'-F][1,3,2]Dioxaphosphepin-4-Yl-2,5-Diphenylpyrrolidine; (R,R,R)-1-(3,5-Dioxa-4-phosphacyclohepta[2,1-a:3,4-a']dinaphthalen-4-yl)-2,5-diphenylpyrrolidine
IUPAC Name	1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2,5-diphenylpyrrolidine
Molecular Weight	537.58
Molecular Formula	C36H28NO2P
InChI	SQEYSQAZYNQDSV-UHFFFAOYSA-N
InChI Key	InChI=1S/C36H28NO2P/c1-3-13-27(14-4-1)31-21-22-32(28-15-5-2-6-16-28)37(31)40-38-33-23-19-25-11-7-9-17-29(25)35(33)36-30-18-10-8-12-26(30)20-24-34(36)39-40/h1-20,23-24,31-32H,21-22H2
Boiling Point	731.4±70.0 °C(Predicted)
Melting Point	191-196 °C
Purity	98%+
Appearance	Solid
Isomeric SMILES	C1CC(N(C1C2=CC=CC=C2)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76)C8=CC=CC=C8
pKa	0.15±0.60(Predicted)

Q&A

What is the IUPAC name of (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine?

The IUPAC name of (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine is (2R,5R)-1-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2,5-diphenylpyrrolidine.

What is the molecular formula of (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine?

The molecular formula of (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine is C36H28NO2P.

What is the molecular weight of (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine?

The molecular weight of (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine is 537.6 g/mol.

What is the exact mass of (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine?

The exact mass of (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine is 537.18576613.

How many hydrogen bond acceptor atoms are in (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine?

(11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine has 3 hydrogen bond acceptor atoms.

How many heavy atoms are present in (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine?

There are 40 heavy atoms present in (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine.

What is the Canonical SMILES representation of (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine?

The Canonical SMILES representation of (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine is C1CC(N(C1C2=CC=CC=C2)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76)C8=CC=CC=C8.

Is there a Covalently-Bonded Unit Count specified for (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine?

Yes, the Covalently-Bonded Unit Count for (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine is 1.

What is the XLogP3 value of (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine?

The XLogP3 value of (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine is 9.6.

Are there any other synonyms or alternative names for (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine?

Yes, there are several synonyms provided for (11bR)-(2R,5R)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-2,5-diphenylpyrrolidine, including SCHEMBL12937005 and CS-0091172.