(14aR)-1,14-Bis(diphenylphosphino)tribenzo[b,e,g][1,4]dioxocine

Catalog Number	ACM331768606
CAS	331768-60-6
IUPAC Name	(20-diphenylphosphanyl-8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(16),2(7),3,5,9,11,13,17,19-nonaen-3-yl)-diphenylphosphane
Molecular Weight	628.63
Molecular Formula	C42H30O2P2
InChI	DTJJMKFHBFTIDT-UHFFFAOYSA-N
InChI Key	InChI=1S/C42H30O2P2/c1-5-17-31(18-6-1)45(32-19-7-2-8-20-32)39-29-15-27-37-41(39)42-38(44-36-26-14-13-25-35(36)43-37)28-16-30-40(42)46(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-30H
Purity	98%
Isomeric SMILES	C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3C5=C(C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)OC8=CC=CC=C8O4

Q&A

What is the molecular formula of (14aR)-1,14-Bis(diphenylphosphino)tribenzo[b,e,g][1,4]dioxocine?

The molecular formula is C42H30O2P2.

What is the exact mass of (14aR)-1,14-Bis(diphenylphosphino)tribenzo[b,e,g][1,4]dioxocine?

The exact mass is 628.17210419 g/mol.

How many hydrogen bond acceptors does (14aR)-1,14-Bis(diphenylphosphino)tribenzo[b,e,g][1,4]dioxocine have?

It has 2 hydrogen bond acceptors.

What is the Canonical SMILES representation of (14aR)-1,14-Bis(diphenylphosphino)tribenzo[b,e,g][1,4]dioxocine?

The Canonical SMILES is C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC4=C3C5=C(C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)OC8=CC=CC=C8O4

What is the IUPAC Name of (14aR)-1,14-Bis(diphenylphosphino)tribenzo[b,e,g][1,4]dioxocine?

The IUPAC Name is (20-diphenylphosphanyl-8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(16),2(7),3,5,9,11,13,17,19-nonaen-3-yl)-diphenylphosphane

How many rotatable bonds are there in (14aR)-1,14-Bis(diphenylphosphino)tribenzo[b,e,g][1,4]dioxocine?

There are 6 rotatable bonds.

What is the XLogP3 value of (14aR)-1,14-Bis(diphenylphosphino)tribenzo[b,e,g][1,4]dioxocine?

The XLogP3 value is 10.8.

What is the Depositor-Supplied Synonym of (14aR)-1,14-Bis(diphenylphosphino)tribenzo[b,e,g][1,4]dioxocine?

The Depositor-Supplied Synonym is 331768-60-6.

How many heavy atoms are present in (14aR)-1,14-Bis(diphenylphosphino)tribenzo[b,e,g][1,4]dioxocine?

There are 46 heavy atoms.

What is the InChIKey of (14aR)-1,14-Bis(diphenylphosphino)tribenzo[b,e,g][1,4]dioxocine?

The InChIKey is DTJJMKFHBFTIDT-UHFFFAOYSA-N.