Phosphine, tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[bis(4-methoxyphenyl)-, stereoisomer (9CI) 364796-54-3 wiki

1.1 Name: Phosphine, tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[bis(4-methoxyphenyl)-, stereoisomer (9CI)

1.2 Synonyms: (R)-4,12-Bis(4-methoxyphenyl)-[2.2]-paracyclophane; (R)-4,12-Bis[di(4-methoxyphenyl)phosphino][2.2]paracyclophane; (R)-An-Phanephos; (S)-4,12-Bis(4-methoxyphenyl)-[2.2]-paracyclophane; (S)-4,12-Bis[di(4-methoxyphenyl)phosphino][2.2]paracyclophane; MFCD16294982; Phosphine, 1,1'-tri; Tricyclo[8.2.2.2;

1.6 Inchi: InChI=1S/C44H42O4P2/c1-45-35-13-21-39(22-14-35)49(40-23-15-36(46-2)16-24-40)43-29-31-5-9-33(43)11-7-32-6-10-34(12-8-31)44(30-32)50(41-25-17-37(47-3)18-26-41)42-27-19-38(48-4)20-28-42/h5-6,9-10,13-30H,7-8,11-12H2,1-4H3

1.8 Canonical Smiles: COc1ccc(cc1)P(c2ccc(cc2)OC)c3cc4ccc3CCc5ccc(c(c5)P(c6ccc(cc6)OC)c7ccc(cc7)OC)CC4

1.9 Isomers Smiles: COC1C=CC(P(C2=C3CCC4=CC(P(C5C=CC(OC)=CC=5)C5C=CC(OC)=CC=5)=C(CCC(=C2)C=C3)C=C4)C2C=CC(OC)=CC=2)=CC=1

Molecular Weight：696.749 g/mol
Molecular Formula：C₄₄H₄₂O₄P₂
Compound Is Canonicalized：True
Exact Mass：9.7
XLogP3-AA：696.25583381
Monoisotopic Mass：696.25583381
Complexity：855
Rotatable Bond Count：10
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：36.9
Heavy Atom Count：：50
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcfB8OAMAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAAABVAAAGggAAAAADASAmAIyBoAABCCAAiBCAAACCAAgIAAIiAAGCIgMJiKEMRqAMCAkwBEIqAeAwMAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA==