| Catalog Number |
ACM1174218304-1 |
| CAS |
1174218-30-4 |
| Synonyms |
[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;(1Z,5Z)-cycloocta-1,5-diene;rhodium;tetrafluoroborate |
| Molecular Weight |
986.75 |
| Molecular Formula |
C56H62BF4P2Rh |
| Canonical SMILES |
[B-](F)(F)(F)F.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.C1CC=CCCC=C1.[Rh] |
| InChI |
InChI=1S/C48H50P2.C8H12.BF4.Rh/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;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h9-10,13-14,17-30H,11-12,15-16H2,1-8H3;1-2,7-8H,3-6H2;/q;-1;/b;2-1-,8-7-; |
| InChI Key |
APILCLFERIYDHA-ONEVTFJLSA-N |
| Purity |
97% |
| Appearance |
Yellow orange crystal |
| Complexity |
973 |
| Covalently-Bonded Unit Count |
4 |
| Defined Atom Stereocenter Count |
0 |
| Exact Mass |
986.34109 |
| Heavy Atom Count |
64 |
| Hydrogen Bond Acceptor Count |
5 |
| Hydrogen Bond Donor Count |
0 |
| Isomeric SMILES |
[B-](F)(F)(F)F.CC1=CC(=CC(=C1)P(C2=C3C=CC(=C2)CCC4=C(C=C(C=C4)CC3)P(C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C.C1/C=C\CC/C=C\C1.[Rh] |
| Monoisotopic Mass |
986.34109 |
| Rotatable Bond Count |
6 |
| Topological Polar Surface Area |
0 Ų |
