Rhodium(1+), (bicyclo[2.2.1]hepta-2,5-diene)[tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[bis(3,5-dimethylphenyl)phosphine]]-, tetrafluoroborate(1-)

CAS Registry Number®

880136-41-4
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CAS Name

Rhodium(1+), (bicyclo[2.2.1]hepta-2,5-diene)[tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[bis(3,5-dimethylphenyl)phosphine]]-, tetrafluoroborate(1-)

Molecular Formula

C55H58P2Rh.BF4

Cite this Page

Rhodium(1+), (bicyclo[2.2.1]hepta-2,5-diene)[tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[bis(3,5-dimethylphenyl)phosphine]]-, tetrafluoroborate(1-).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=880136-41-4 (retrieved 2024-05-02) (CAS RN: 880136-41-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H50P2.C7H8.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;1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h9-10,13-14,17-30H,11-12,15-16H2,1-8H3;1-4,6-7H,5H2;;/q;;-1;+1

InChIKey

InChIKey=SPCODASZLXXEBE-UHFFFAOYSA-N

SMILES

CC=1C=C([P]2([Rh+]345([P](C=6C7=CC=C(C6)CCC=8C2=CC(=CC8)CC7)(C9=CC(C)=CC(C)=C9)C%10=CC(C)=CC(C)=C%10)[CH]%11=[CH]3C%12[CH]4=[CH]5C%11C%12)C%13=CC(C)=CC(C)=C%13)C=C(C)C1.[B+3]([F-])([F-])([F-])[F-]

Canonical SMILES

[F-][B+3]([F-])([F-])[F-].C=1C=C2C3=CC1CCC4=CC=C(C=C4[P](C=5C=C(C=C(C5)C)C)(C=6C=C(C=C(C6)C)C)[Rh+]789([CH]=%10C%11CC([CH]%107)[CH]9=[CH]%118)[P]3(C=%12C=C(C=C(C%12)C)C)C=%13C=C(C=C(C%13)C)C)CC2

Other Names for this Substance

  • Rhodium(1+), (bicyclo[2.2.1]hepta-2,5-diene)[tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene-5,11-diylbis[bis(3,5-dimethylphenyl)phosphine]]-, tetrafluoroborate(1-)

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