(11BR)-4-(2-(benzyloxy)-1,2-di(naphthalen-2-yl)ethoxy)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine

Catalog Number	ACM1335045958
CAS	1335045-95-8
IUPAC Name	13-(1,2-dinaphthalen-2-yl-2-phenylmethoxyethoxy)-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-decaene
Molecular Weight	718.77
Molecular Formula	C49H35O4P
InChI	WICANHYZFBAPDB-UHFFFAOYSA-N
InChI Key	InChI=1S/C49H35O4P/c1-2-12-33(13-3-1)32-50-48(40-24-22-34-14-4-6-18-38(34)30-40)49(41-25-23-35-15-5-7-19-39(35)31-41)53-54-51-44-28-26-36-16-8-10-20-42(36)46(44)47-43-21-11-9-17-37(43)27-29-45(47)52-54/h1-31,48-49H,32H2
Purity	98%
Isomeric SMILES	C1=CC=C(C=C1)COC(C2=CC3=CC=CC=C3C=C2)C(C4=CC5=CC=CC=C5C=C4)OP6OC7=C(C8=CC=CC=C8C=C7)C9=C(O6)C=CC1=CC=CC=C19

Q&A

What is the IUPAC name of (11BR)-4-(2-(benzyloxy)-1,2-di(naphthalen-2-yl)ethoxy)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The IUPAC name is 13-(1,2-dinaphthalen-2-yl-2-phenylmethoxyethoxy)-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-decaene.

What is the computed property for Topological Polar Surface Area of (11BR)-4-(2-(benzyloxy)-1,2-di(naphthalen-2-yl)ethoxy)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The Topological Polar Surface Area is 44.7.

How many hydrogen bond acceptors does (11BR)-4-(2-(benzyloxy)-1,2-di(naphthalen-2-yl)ethoxy)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine have?

(11BR)-4-(2-(benzyloxy)-1,2-di(naphthalen-2-yl)ethoxy)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine has 4 hydrogen bond acceptors.

What is the monoisotopic mass of (11BR)-4-(2-(benzyloxy)-1,2-di(naphthalen-2-yl)ethoxy)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The monoisotopic mass is 718.22729659.

What is the molecular formula of (11BR)-4-(2-(benzyloxy)-1,2-di(naphthalen-2-yl)ethoxy)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The molecular formula is C49H35O4P.

What is the Canonical SMILES representation of (11BR)-4-(2-(benzyloxy)-1,2-di(naphthalen-2-yl)ethoxy)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

C1=CC=C(C=C1)COC(C2=CC3=CC=CC=C3C=C2)C(C4=CC5=CC=CC=C5C=C4)OP6OC7=C(C8=CC=CC=C8C=C7)C9=C(O6)C=CC1=CC=CC=C19

How many heavy atoms are present in (11BR)-4-(2-(benzyloxy)-1,2-di(naphthalen-2-yl)ethoxy)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

(11BR)-4-(2-(benzyloxy)-1,2-di(naphthalen-2-yl)ethoxy)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine has 54 heavy atoms.

What is the computed property XLogP3 for (11BR)-4-(2-(benzyloxy)-1,2-di(naphthalen-2-yl)ethoxy)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The XLogP3 value is 12.8.

What is the CAS number of (11BR)-4-(2-(benzyloxy)-1,2-di(naphthalen-2-yl)ethoxy)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine?

The CAS number is 1335045-95-8.

How many rotatable bonds does (11BR)-4-(2-(benzyloxy)-1,2-di(naphthalen-2-yl)ethoxy)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine have?

(11BR)-4-(2-(benzyloxy)-1,2-di(naphthalen-2-yl)ethoxy)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine has 8 rotatable bonds.