1,4(1,4)-Dibenzenacyclohexaphane-12,43-diylbis(bis(3,5-dimethylphenyl)phosphine oxide)

Catalog Number	ACM936475002
CAS	936475-00-2
Synonyms	Phosphine oxide, 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	5,11-bis[bis(3,5-dimethylphenyl)phosphoryl]tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
Molecular Weight	720.86
Molecular Formula	C48H50O2P2
InChI	USFYXQCAXOZHHH-UHFFFAOYSA-N
InChI Key	InChI=1S/C48H50O2P2/c1-31-17-32(2)22-43(21-31)51(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)52(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
Purity	98%
Isomeric SMILES	CC1=CC(=CC(=C1)P(=O)(C2=CC(=CC(=C2)C)C)C3=C4CCC5=CC(=C(CCC(=C3)C=C4)C=C5)P(=O)(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C

Q&A

What is the canonical SMILES representation of 1,4(1,4)-Dibenzenacyclohexaphane-12,43-diylbis(bis(3,5-dimethylphenyl)phosphine oxide)?

CC1=CC(=CC(=C1)P(=O)(C2=CC(=CC(=C2)C)C)C3=C4CCC5=CC(=C(CCC(=C3)C=C4)C=C5)P(=O)(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C

How many heavy atoms are present in 1,4(1,4)-Dibenzenacyclohexaphane-12,43-diylbis(bis(3,5-dimethylphenyl)phosphine oxide)?

52

What is the defined atom stereocenter count of 1,4(1,4)-Dibenzenacyclohexaphane-12,43-diylbis(bis(3,5-dimethylphenyl)phosphine oxide)?

0

What is the topological polar surface area of 1,4(1,4)-Dibenzenacyclohexaphane-12,43-diylbis(bis(3,5-dimethylphenyl)phosphine oxide)?

34.1

What is the molecular weight of 1,4(1,4)-Dibenzenacyclohexaphane-12,43-diylbis(bis(3,5-dimethylphenyl)phosphine oxide)?

720.9g/mol

What is the exact mass of 1,4(1,4)-Dibenzenacyclohexaphane-12,43-diylbis(bis(3,5-dimethylphenyl)phosphine oxide)?

720.32860483

What is the InChIKey for 1,4(1,4)-Dibenzenacyclohexaphane-12,43-diylbis(bis(3,5-dimethylphenyl)phosphine oxide)?

USFYXQCAXOZHHH-UHFFFAOYSA-N

What is the depositor-supplied synonym for 1,4(1,4)-Dibenzenacyclohexaphane-12,43-diylbis(bis(3,5-dimethylphenyl)phosphine oxide)?

(R)-Pseudo-o-bis(di(3,5-dimethylphenyl)phosphinyl)[2.2]paracyclophane

How many rotatable bonds are present in 1,4(1,4)-Dibenzenacyclohexaphane-12,43-diylbis(bis(3,5-dimethylphenyl)phosphine oxide)?

6

What is the computed properties complexity of 1,4(1,4)-Dibenzenacyclohexaphane-12,43-diylbis(bis(3,5-dimethylphenyl)phosphine oxide)?

1080