1,14-Bis(diphenylphosphino)-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine

Catalog Number	ACM499797103
CAS	499797-10-3
IUPAC Name	(18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane
Molecular Weight	608.64
Molecular Formula	C40H34O2P2
InChI	SILYLKHINIIMMN-UHFFFAOYSA-N
InChI Key	InChI=1S/C40H34O2P2/c1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)37-27-15-25-35-39(37)40-36(42-30-14-13-29-41-35)26-16-28-38(40)44(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-12,15-28H,13-14,29-30H2
Purity	98%
Isomeric SMILES	C1CCOC2=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)OC1

Q&A

What is the CAS number of 1,14-Bis(diphenylphosphino)-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine?

486429-94-1

How many heavy atoms are present in the molecule?

44

What is the molecular weight of 1,14-Bis(diphenylphosphino)-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine?

608.6 g/mol

What is the IUPAC name of the compound?

(18-diphenylphosphanyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphane

How many rotatable bonds are present in the molecule?

6

What is the Canonical SMILES notation of the compound?

C1CCOC2=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)OC1

What is the topological polar surface area of 1,14-Bis(diphenylphosphino)-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine?

18.5

What is the Monoisotopic Mass of the compound?

608.20340432

Provide a record title synonym for the compound.

(S)-C4-TunePhos

What is the InChIKey of 1,14-Bis(diphenylphosphino)-6,7,8,9-tetrahydrodibenzo[b,d][1,6]dioxecine?

SILYLKHINIIMMN-UHFFFAOYSA-N