-
λ1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene tetrafluoroboranuide {11-[bis(4-methoxyphenyl)phosphanyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl}bis(4-methoxyphenyl)phosphane
-
ChemBase ID:
297317
-
Molecular Formular:
C52H54BF4O4P2Rh
-
Molecular Mass:
994.6403948
-
Monoisotopic Mass:
994.25815575
-
SMILES and InChIs
SMILES:
c12cc(c(cc1)CCc1cc(c(cc1)CC2)P(c1ccc(cc1)OC)c1ccc(cc1)OC)P(c1ccc(cc1)OC)c1ccc(cc1)OC.[Rh+].C1=CCCC=CCC1.[B-](F)(F)(F)F
Canonical SMILES:
C1CC=CCCC=C1.F[B-](F)(F)F.COc1ccc(cc1)P(c1cc2CCc3ccc(CCc1cc2)cc3P(c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccc(cc1)OC.[Rh+]
InChI:
InChI=1S/C44H42O4P2.C8H12.BF4.Rh/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;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h5-6,9-10,13-30H,7-8,11-12H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;+1/b;2-1-,8-7-;;
InChIKey:
BTVIWXQBNRMZFM-ONEVTFJLSA-N
-
Cite this record
CBID:297317 http://www.chembase.cn/molecule-297317.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
λ1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene tetrafluoroboranuide {11-[bis(4-methoxyphenyl)phosphanyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl}bis(4-methoxyphenyl)phosphane
|
λ1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene tetrafluoroboranuide {14-[bis(4-methoxyphenyl)phosphanyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl}bis(4-methoxyphenyl)phosphane
|
|
|
IUPAC Traditional name
|
λ1-rhodium(1+) ion 1,5-cyclooctadiene, (Z,Z)- {11-[bis(4-methoxyphenyl)phosphanyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl}bis(4-methoxyphenyl)phosphane tetrafluoroborate
|
λ1-rhodium(1+) ion 1,5-cyclooctadiene, (Z,Z)- {14-[bis(4-methoxyphenyl)phosphanyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaen-5-yl}bis(4-methoxyphenyl)phosphane tetrafluoroborate
|
|
|
Synonyms
|
[(R)-4,12-Bis[di(4-methoxyphenyl)phosphino][2.2]paracyclophane](1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
|
[Rh COD (R)-AnPhanephos]BF4
|
[(S)-4,12-Bis[di(4-methoxyphenyl)phosphino][2.2]paracyclophane](1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
|
[Rh COD (S)-AnPhanephos]BF4
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
4
|
H Donor
|
0
|
LogD (pH = 5.5)
|
10.0632
|
LogD (pH = 7.4)
|
10.0632
|
Log P
|
10.0632
|
Molar Refractivity
|
205.659 cm3
|
Polarizability
|
80.16475 Å3
|
Polar Surface Area
|
36.92 Å2
|
Rotatable Bonds
|
10
|
Lipinski's Rule of Five
|
false
|
PATENTS
PATENTS
PubChem Patent
Google Patent