4,12-BIs(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane

Catalog Number	ACM957782115
CAS	957782-11-5
Synonyms	Phosphine, 1,1'-tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[1,1-bis(3,5-dimethylphenyl)-
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)
Purity	98%
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 for 4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

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

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

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

How many heavy atoms are present in the molecular structure of 4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

There are 50 heavy atoms.

What is the XLogP3 value of 4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

The XLogP3 value is 12.7.

What are some of the synonyms for 4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

Some synonyms include (S)-(+)-4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane, (R)-(-)-4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane, and MFCD03840578.

What is the exact mass of 4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

The exact mass is 688.33877559.

What is the IUPAC name of 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 molecular formula of 4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

The molecular formula is C48H50P2.

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

The InChIKey is LYHOBZAADXPPNW-UHFFFAOYSA-N.

What is the molecular weight of 4,12-Bis(di(3,5-xylyl)phosphino)-[2.2]-paracyclophane?

The molecular weight is 688.9 g/mol.