(S)-(+)-4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane

Catalog Number	ACM325168885-2
CAS	325168-88-5
Structure
Synonyms	(S)-5,11-Bis(3,5-xylylphosphino)tricyclo[8.2.24,7]hexadeca-hexaene; (S)-xylyl-PHANEPHos
IUPAC Name	[11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane
Molecular Weight	688.86
Molecular Formula	C48H50P2
InChI	LYHOBZAADXPPNW-UHFFFAOYSA-N
InChI Key	InChI=1S/C48H50P2/c1-31-17-32(2)22-43(21-31)49(44-23-33(3)18-34(4)24-44)47-29-39-9-13-41(47)15-11-40-10-14-42(16-12-39)48(30-40)50(45-25-35(5)19-36(6)26-45)46-27-37(7)20-38(8)28-46/h9-10,13-14,17-30H,11-12,15-16H2,1-8H3
Boiling Point	785.2±60.0 °C(Predicted)
Melting Point	234-238 °C
Purity	90%
Appearance	Solid
Isomeric SMILES	CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=C4CCC5=CC(=C(CCC(=C3)C=C4)C=C5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C

Q&A

What is the CAS number of (S)-(+)-4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

CAS numbers are 325168-89-6 and 325168-88-5.

What is the Canonical SMILES representation of (S)-(+)-4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

The Canonical SMILES representation is CC1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C)C)C3=C4CCC5=CC(=C(CCC(=C3)C=C4)C=C5)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C.

What is the Computed Properties XLogP3 value for (S)-(+)-4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

The Computed Properties XLogP3 value is 12.7.

How many hydrogen bond acceptor counts does (S)-(+)-4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane have?

It has 0 hydrogen bond acceptor counts.

What is the IUPAC Name of (S)-(+)-4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

The IUPAC Name is [11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane.

What is the InChIKey for (S)-(+)-4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

The InChIKey is LYHOBZAADXPPNW-UHFFFAOYSA-N.

What is the Molecular Formula of (S)-(+)-4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

The Molecular Formula is C48H50P2.

What is the Molecular Weight of (S)-(+)-4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

The Molecular Weight is 688.9g/mol.

What is the Monoisotopic Mass of (S)-(+)-4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

The Monoisotopic Mass is 688.33877559.

What are some Depositor-Supplied Synonyms for (S)-(+)-4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

Some Depositor-Supplied Synonyms include (R)-(-)-4,12-Bis[di(3,5-xylyl)phosphino]-[2.2]-paracyclophane, (S)-(+)-4,12-Bis[di(3,5-xylyl)phosphino]-[2.2]-paracyclophane, and more.