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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
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ChemBase ID:
297382
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Molecular Formular:
C48H46BF4P2Rh
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Molecular Mass:
874.5364748
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Monoisotopic Mass:
874.21589701
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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
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Cite this record
CBID:297382 http://www.chembase.cn/molecule-297382.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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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
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IUPAC Traditional name
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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
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Synonyms
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[(R)-4,12-Bis(diphenylphosphino)[2.2]paracyclophane](1,5-cyclooctadiene)rhodium(I) tetrafluoroborate
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[Rh COD (R)-Phanephos]BF4
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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0
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H Donor
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0
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LogD (pH = 5.5)
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11.074
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LogD (pH = 7.4)
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11.074
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Log P
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11.074
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Molar Refractivity
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179.8062 cm3
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Polarizability
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70.25118 Å3
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Polar Surface Area
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0.0 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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false
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PATENTS
PATENTS
PubChem Patent
Google Patent