N-[(11BR)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide

Catalog Number	ACM1150592907
CAS	1150592-90-7
Synonyms	Methanesulfonamide, N-(11bR)-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl-1,1,1-trifluoro-
IUPAC Name	N-(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)-1,1,1-trifluoromethanesulfonamide
Molecular Weight	463.37
Molecular Formula	C21H13F3NO4PS
InChI	GRVVEHJKSSFTKA-UHFFFAOYSA-N
InChI Key	InChI=1S/C21H13F3NO4PS/c22-21(23,24)31(26,27)25-30-28-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)29-30/h1-12,25H
Purity	98%
Isomeric SMILES	C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(O3)NS(=O)(=O)C(F)(F)F

Q&A

What is the molecular formula of N-[(11BR)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide?

The molecular formula is C21H13F3NO4PS.

What is the molecular weight of N-[(11BR)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide?

The molecular weight is 463.4 g/mol.

What is the exact mass of N-[(11BR)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide?

The exact mass is 463.02550055.

What is the Canonical SMILES of N-[(11BR)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide?

C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(O3)NS(=O)(=O)C(F)(F)F

How many heavy atoms are in N-[(11BR)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide?

There are 31 heavy atoms.

How many hydrogen bond acceptors are in N-[(11BR)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide?

There are 8 hydrogen bond acceptors.

How many hydrogen bond donors are in N-[(11BR)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide?

There is 1 hydrogen bond donor.

What is the XLogP3 value of N-[(11BR)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide?

The XLogP3 value is 6.4.

What is the InChIKey of N-[(11BR)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide?

The InChIKey is GRVVEHJKSSFTKA-UHFFFAOYSA-N.

What is the name of N-[(11BR)-Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide provided by the depositor?

The name provided by the depositor is N-[(11BR)-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide.