[1,1′-(4R)-[4,4′-Bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]phosphine-κP]]dichloro[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]ruthenium

CAS Registry Number®

944451-32-5

CAS Name

[1,1′-(4R)-[4,4′-Bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]phosphine-κP]]dichloro[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]ruthenium

Molecular Formula

C84H114Cl2O8P2Ru

Cite this Page

[1,1′-(4R)-[4,4′-Bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]phosphine-κP]]dichloro[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]ruthenium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=944451-32-5 (retrieved 2024-11-22) (CAS RN: 944451-32-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C74H100O8P2.C10H14.2ClH.Ru/c1-67(2,3)47-33-43(34-48(61(47)75-25)68(4,5)6)83(44-35-49(69(7,8)9)62(76-26)50(36-44)70(10,11)12)57-31-29-55-65(81-41-79-55)59(57)60-58(32-30-56-66(60)82-42-80-56)84(45-37-51(71(13,14)15)63(77-27)52(38-45)72(16,17)18)46-39-53(73(19,20)21)64(78-28)54(40-46)74(22,23)24;1-8(2)10-6-4-9(3)5-7-10;;;/h29-40H,41-42H2,1-28H3;4-8H,1-3H3;2*1H;/q;;;;+2/p-2

InChIKey

InChIKey=MYYXUILRYSITRR-UHFFFAOYSA-L

SMILES

[Cl-][Ru+2]123456([Cl-])(C=7(C(C)C)[CH]1=[CH]2C3(C)=[CH]4[CH]57)[P](C=8C(C=9C([P]6(C%10=CC(C(C)(C)C)=C(OC)C(C(C)(C)C)=C%10)C%11=CC(C(C)(C)C)=C(OC)C(C(C)(C)C)=C%11)=CC=C%12C9OCO%12)=C%13C(=CC8)OCO%13)(C%14=CC(C(C)(C)C)=C(OC)C(C(C)(C)C)=C%14)C%15=CC(C(C)(C)C)=C(OC)C(C(C)(C)C)=C%15

Canonical SMILES

[Cl-][Ru+2]123456([Cl-])([CH]=7[CH]5=C4(C(C)C)[CH]3=[CH]2C71C)[P](C=8C=C(C(OC)=C(C8)C(C)(C)C)C(C)(C)C)(C=9C=C(C(OC)=C(C9)C(C)(C)C)C(C)(C)C)C%10=CC=C%11OCOC%11=C%10C=%12C=%13OCOC%13C=CC%12[P]6(C=%14C=C(C(OC)=C(C%14)C(C)(C)C)C(C)(C)C)C=%15C=C(C(OC)=C(C%15)C(C)(C)C)C(C)(C)C

Other Names for this Substance

  • Ruthenium, [1,1′-(4R)-[4,4′-bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]phosphine-κP]]dichloro[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]-
  • [1,1′-(4R)-[4,4′-Bi-1,3-benzodioxole]-5,5′-diylbis[1,1-bis[3,5-bis(1,1-dimethylethyl)-4-methoxyphenyl]phosphine-κP]]dichloro[(1,2,3,4,5,6-η)-1-methyl-4-(1-methylethyl)benzene]ruthenium

CAS INSIGHTSTM
Targeted protein degrader structure, illustration