Home > Compound List > Compound details
849950-56-7 molecular structure
click picture or here to close

λ1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene [11-(diphenylphosphanyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]diphenylphosphane tetrafluoroboranuide

ChemBase ID: 297382
Molecular Formular: C48H46BF4P2Rh
Molecular Mass: 874.5364748
Monoisotopic Mass: 874.21589701
SMILES and InChIs

SMILES:
c12cc(c(cc1)CCc1cc(c(cc1)CC2)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Rh+].C1=CCCC=CCC1.[B-](F)(F)(F)F
Canonical SMILES:
C1CC=CCCC=C1.c1ccc(cc1)P(c1cc2CCc3ccc(CCc1cc2)cc3P(c1ccccc1)c1ccccc1)c1ccccc1.F[B-](F)(F)F.[Rh+]
InChI:
InChI=1S/C40H34P2.C8H12.BF4.Rh/c1-5-13-35(14-6-1)41(36-15-7-2-8-16-36)39-29-31-21-25-33(39)27-23-32-22-26-34(28-24-31)40(30-32)42(37-17-9-3-10-18-37)38-19-11-4-12-20-38;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-22,25-26,29-30H,23-24,27-28H2;1-2,7-8H,3-6H2;;/q;;-1;+1/b;2-1-,8-7-;;
InChIKey:
AFXRTUXJZAFILZ-ONEVTFJLSA-N

Cite this record

CBID:297382 http://www.chembase.cn/molecule-297382.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
λ1-rhodium(1+) ion (1Z,5Z)-cycloocta-1,5-diene [11-(diphenylphosphanyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]diphenylphosphane tetrafluoroboranuide
IUPAC Traditional name
λ1-rhodium(1+) ion 1,5-cyclooctadiene, (Z,Z)- [11-(diphenylphosphanyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]diphenylphosphane tetrafluoroborate
Synonyms
[(R)-4,12-Bis(diphenylphosphino)[2.2]paracyclophane](1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
[Rh COD (R)-Phanephos]BF4
CAS Number
849950-56-7
MDL Number
MFCD16294983
PubChem SID
180682913
PubChem CID
12964431

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Alfa Aesar
H35862 external link Add to cart Please log in.
Data Source Data ID
PubChem 12964431 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 11.074  LogD (pH = 7.4) 11.074 
Log P 11.074  Molar Refractivity 179.8062 cm3
Polarizability 70.25118 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
Rh 11.8% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle