ethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C74H87F3Ge2Ir2N5O6S-5 — CID 160542844

IUPACethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2ccccc2)ncc1[Ge](C)(C)C.CCO.CO.CO.O=S(=O)([O-])C(F)(F)F.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H25GeN.C18H24GeN.3C11H8N.C2H6O.CHF3O3S.2CH4O.2Ir/c2*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-3;2-1(3,4)8(5,6)7;2*1-2;;/h6-10,12-14H,11H2,1-5H3;6-9,12-14H,11H2,1-5H3;3*1-6,8-9H;3H,2H2,1H3;(H,5,6,7);2*2H,1H3;;/q;4*-1;;;;;;/p-1
InChIKeyMUXLJNOFMGIBJD-UHFFFAOYSA-M
MW1761.25 g/mol
LogP15.69
Rot. Bonds11

About ethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

ethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 160542844) has the molecular formula C74H87F3Ge2Ir2N5O6S-5 and a molecular weight of 1761.25 g/mol. Its IUPAC name is ethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

Compound Nameethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
PubChem CID160542844
Molecular FormulaC74H87F3Ge2Ir2N5O6S-5
Molecular Weight1761.25 g/mol
Exact Mass1764.40
IUPAC Nameethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2ccccc2)ncc1[Ge](C)(C)C.CCO.CO.CO.O=S(=O)([O-])C(F)(F)F.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H25GeN.C18H24GeN.3C11H8N.C2H6O.CHF3O3S.2CH4O.2Ir/c2*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-3;2-1(3,4)8(5,6)7;2*1-2;;/h6-10,12-14H,11H2,1-5H3;6-9,12-14H,11H2,1-5H3;3*1-6,8-9H;3H,2H2,1H3;(H,5,6,7);2*2H,1H3;;/q;4*-1;;;;;;/p-1
InChIKeyMUXLJNOFMGIBJD-UHFFFAOYSA-M
XLogP15.69
TPSA182.34 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001761.25
LogP ≤ 515.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

Bis(4,4'-di-tert-butyl-2,2'-bipyridine-kappa^2^N,N')silver(I) trifluoromethanesulfonate
CID 139072979
[mu-1,2-Bis(4-pyridyl)ethane-kappa^2^N:N']bis[(4'-phenyl-2,2':6',2''-terpyridine-kappa^3^N,N',N'')silver(I)] bis(trifluoromethanesulfonate)
CID 139080008
dicopper;methanol;bis(1-(3-methyl-2-pyridinyl)-N-[(1R,2R)-2-[(3-methyl-2-pyridinyl)methylideneamino]cyclohexyl]methanimine);tetrakis(trifluoromethanesulfonate)
CID 139156444
5,15-Bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;methanol;bis(trifluoromethanesulfonate);ZINC
CID 139202285
Tetrazinc;platinum(2+);trifluoromethanesulfonate;tetrakis(5,10,15-triphenyl-20-pyridin-4-ylporphyrin-22,24-diide)
CID 24202529
2,5-Diphenylpyridine;bis(iridium);methane;methanol;tris(2-methyl-6-phenylpyridine);5-phenyl-2-phenylpyridine;trifluoromethanesulfonic acid
CID 157125486
Ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane)
CID 157168971
tris(N,N-diphenyl-6-phenylpyridin-3-amine);bis(iridium);methanol;trifluoromethanesulfonic acid;N,N,6-triphenylpyridin-3-amine
CID 157206841
Bis(iridium);methanol;bis(4-methyl-5-phenyl-2-phenylpyridine);5-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;trifluoromethanesulfonate
CID 157210910
[4-(Cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;(4-hexyl-6-phenyl-3-pyridinyl)-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-pentyl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 157211197
4-ethyl-2,5-diphenylpyridine;4-ethyl-5-phenyl-2-phenylpyridine;5-ethyl-6-phenyl-3-phenyl-2H-pyridin-2-ide;bis(iridium);methanol;trifluoromethanesulfonate
CID 157240047
Bis(iridium);methanol;4-(2-methylphenyl)-2-phenylpyridine;4-(2-methylphenyl)-2-phenylpyridine;bis(2-phenylpyridine);trifluoromethanesulfonate
CID 157241541

Frequently Asked Questions

What is the IUPAC name of ethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The IUPAC name of ethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 160542844) is ethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.
What is the SMILES notation for ethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The canonical SMILES for ethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2ccccc2)ncc1[Ge](C)(C)C.CCO.CO.CO.O=S(=O)([O-])C(F)(F)F.[Ir].[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of ethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The InChIKey is MUXLJNOFMGIBJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H25GeN.C18H24GeN.3C11H8N.C2H6O.CHF3O3S.2CH4O.2Ir/c2*1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-3;2-1(3,4)8(5,6)7;2*1-2;;/h6-10,12-14H,11H2,1-5H3;6-9,12-14H,11H2,1-5H3;3*1-6,8-9H;3H,2H2,1H3;(H,5,6,7);2*2H,1H3;;/q;4*-1;;;;;;/p-1.
What are the key properties of ethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
ethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 1761.25 g/mol, XLogP of 15.69, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;bis(iridium);methanol;tris(2-phenylpyridine);trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 160542844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).