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(2R,5R)-1-{[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methylidene}-2,5-diphenyl-1λ5-pyrrolidin-1-ylium; tetrafluoroboranuide
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ChemBase ID:
136252
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Molecular Formular:
C33H33BF4N2
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Molecular Mass:
544.4331328
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Monoisotopic Mass:
544.26729235
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SMILES and InChIs
SMILES:
[B-](F)(F)(F)F.c1ccc(cc1)[C@H]1CC[C@@H](N1/C=[N+]/1\[C@H](CC[C@@H]1c1ccccc1)c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)[C@H]1CC[C@@H](N1/C=[N+]/1\[C@H](CC[C@@H]1c1ccccc1)c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChI:
InChI=1S/C33H33N2.BF4/c1-5-13-26(14-6-1)30-21-22-31(27-15-7-2-8-16-27)34(30)25-35-32(28-17-9-3-10-18-28)23-24-33(35)29-19-11-4-12-20-29;2-1(3,4)5/h1-20,25,30-33H,21-24H2;/q+1;-1/t30-,31-,32-,33-;/m1./s1
InChIKey:
RKLHUHRTFDXZEQ-ZNOPIPGTSA-N
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Cite this record
CBID:136252 http://www.chembase.cn/molecule-136252.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2R,5R)-1-{[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methylidene}-2,5-diphenyl-1λ5-pyrrolidin-1-ylium; tetrafluoroboranuide
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IUPAC Traditional name
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(2R,5R)-1-{[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]methylidene}-2,5-diphenyl-1λ5-pyrrolidin-1-ylium tetrafluoroborate
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Synonyms
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Bis[(2R,5R)-diphenyl-1-pyrrolidinyl]methylium tetrafluoroborate
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(2R,5R)-1-(((2R,5R)-2,5-Diphenylpyrrolidin-1-yl)methylene)-2,5-diphenylpyrrolidinium tetrafluoroborate
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Bis[(2S,5S)-dimethyl-1-pyrrolidinyl]methylium tetrafluoroborate
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(2S,5S)-1-(((2S,5S)-2,5-Dimethylpyrrolidin-1-yl)methylene)-2,5-dimethylpyrrolidinium tetrafluoroborate
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双[(2R,5R)-二苯基-1-吡咯烷基]甲基四氟硼酸盐
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(2R,5R)-1-(((2R,5R)-2,5-二苯基吡咯烷-1-基)亚甲基)-2,5-二苯基吡咯烷鎓四氟硼酸盐
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双[(2S,5S)-二甲基-1-吡咯烷基]四氟硼酸甲鎓盐
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(2S,5S)-1-(((2S,5S)-2,5-二甲基吡咯烷-1-基)亚甲基)-2,5-二甲基吡咯烷鎓四氟硼酸盐
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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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1
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H Donor
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0
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LogD (pH = 5.5)
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4.186192
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LogD (pH = 7.4)
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4.186192
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Log P
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4.186192
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Molar Refractivity
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155.4454 cm3
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Polarizability
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56.51556 Å3
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Polar Surface Area
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6.25 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
716766
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Packaging 100 mg in glass bottle Legal Information Sold under license from Kanata Chemical Technologies Inc. for research purposes only. |
Sigma Aldrich -
716774
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Packaging 100 mg in glass bottle Legal Information Sold under license from Kanata Chemical Technologies Inc. for research purposes only. |
PATENTS
PATENTS
PubChem Patent
Google Patent