hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)

C286H190Cu6F36Ir8N32O8P4-8 — CID 157094736

IUPAChexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)
SMILESFC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.O=C(O)c1ccccc1[PH+](c1ccccc1)c1ccc(-c2ccncc2)cc1.O=C(O)c1ccccc1[PH+](c1ccccc1)c1ccc(-c2ccncc2)cc1.O=C(O)c1ccccc1[PH+](c1ccccc1)c1ccc(-c2ccncc2)cc1.O=C(O)c1ccccc1[PH+](c1ccccc1)c1ccc(-c2ccncc2)cc1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1cnccn1.[c-]1ccccc1-c1cnccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccncc1-c1ccccn1.[c-]1ccncc1-c1ccccn1
InChIInChI=1S/4C24H18NO2P.8C15H10N.4C10H7N2.6C5HF6N2.6Cu.8Ir/c4*26-24(27)22-8-4-5-9-23(22)28(20-6-2-1-3-7-20)21-12-10-18(11-13-21)19-14-16-25-17-15-19;4*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;4*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2*1-2-7-12-10(5-1)9-4-3-6-11-8-9;2*1-2-4-9(5-3-1)10-8-11-6-7-12-10;6*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;;;/h4*1-17H,(H,26,27);4*1-7,9-11H;4*1-6,8-11H;2*1-3,5-8H;2*1-4,6-8H;6*1H;;;;;;;;;;;;;;/q;;;;18*-1;6*+1;;;;;;;;/p+4
InChIKeyJASVMBAFCZXQJZ-UHFFFAOYSA-R
MW6929.72 g/mol
LogP65.56
Rot. Bonds32

About hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)

hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide) (PubChem CID 157094736) has the molecular formula C286H190Cu6F36Ir8N32O8P4-8 and a molecular weight of 6929.72 g/mol. Its IUPAC name is hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide).

Molecular Properties

Compound Namehexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)
PubChem CID157094736
Molecular FormulaC286H190Cu6F36Ir8N32O8P4-8
Molecular Weight6929.72 g/mol
Exact Mass6928.67
IUPAC Namehexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)
SMILESFC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.O=C(O)c1ccccc1[PH+](c1ccccc1)c1ccc(-c2ccncc2)cc1.O=C(O)c1ccccc1[PH+](c1ccccc1)c1ccc(-c2ccncc2)cc1.O=C(O)c1ccccc1[PH+](c1ccccc1)c1ccc(-c2ccncc2)cc1.O=C(O)c1ccccc1[PH+](c1ccccc1)c1ccc(-c2ccncc2)cc1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1cnccn1.[c-]1ccccc1-c1cnccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccncc1-c1ccccn1.[c-]1ccncc1-c1ccccn1
InChIInChI=1S/4C24H18NO2P.8C15H10N.4C10H7N2.6C5HF6N2.6Cu.8Ir/c4*26-24(27)22-8-4-5-9-23(22)28(20-6-2-1-3-7-20)21-12-10-18(11-13-21)19-14-16-25-17-15-19;4*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;4*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2*1-2-7-12-10(5-1)9-4-3-6-11-8-9;2*1-2-4-9(5-3-1)10-8-11-6-7-12-10;6*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;;;/h4*1-17H,(H,26,27);4*1-7,9-11H;4*1-6,8-11H;2*1-3,5-8H;2*1-4,6-8H;6*1H;;;;;;;;;;;;;;/q;;;;18*-1;6*+1;;;;;;;;/p+4
InChIKeyJASVMBAFCZXQJZ-UHFFFAOYSA-R
XLogP65.56
TPSA568.94 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds32
Heavy Atoms380
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006929.72
LogP ≤ 565.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Analyze hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);bis(copper(1+));tetrakis(iridium);tetrakis(2-phenylquinoline)
CID 91867871
2-(2,4-difluorobenzene-6-id-1-yl)-4-phenylquinoline;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;2-(2H-fluoranthen-2-id-3-yl)pyridine;nonakis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetradecakis(iridium);2-(2-methylbenzene-6-id-1-yl)-4-phenylquinoline;4-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)-3-naphthalen-1-ylpyridine;hexakis(3-phenylpyridazine);2-phenylpyridine;pyrazine-2-carboxylic acid;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 157083339
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 157109008
2-(4-tert-butylbenzene-6-id-1-yl)pyridine;bis(2-(9,9-diethyl-3H-fluoren-3-id-2-yl)quinoline);heptakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);3-ethyl-4-hydroxypent-3-en-2-one;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;nonakis(iridium);2-phenylpyridine
CID 157287608
Bis(3-[[1-(cyclopropylmethyl)-5-methylindazol-3-yl]methyl]pyridine-4-carboxylic acid);3-[(1-ethyl-5-methylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;bis(3-[[5-methyl-1-(3,3,3-trifluoropropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid)
CID 157568205
3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;hexakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;heptakis(iridium)
CID 157686881
Bis(2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-5-methylpyrazine);2-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-5-propan-2-ylpyrazine;tetrakis(iridium);iridium(3+);5-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazine;tetrakis(pyrazol-1-ide);tris(pyridine-2-carboxylic acid)
CID 157696246
2,6-Bis[3,4-bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2,6-bis(2-phenylpropan-2-yl)pyridine);bis(iridium);tris(iridium(3+));2-phenyl-1,10-phenanthroline;tris(1-(3-pyrazol-1-ylbenzene-2-id-1-yl)pyrazole);bis(pyridine-2,6-dicarboxylic acid);2-[2-[3-(2-pyridin-2-ylpropan-2-yl)benzene-2-id-1-yl]propan-2-yl]pyridine
CID 158017284
CID 158094398
CID 158094398
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;3,5-diphenyl-2-phenylpyrazine;tris(4-hydroxypent-3-en-2-one);heptakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 158305909
3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;hexakis(2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;3-hydroxy-1,3-diphenylprop-2-en-1-one;4-hydroxy-3-methylpent-3-en-2-one;tris(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;octakis(iridium)
CID 158307132
3-[(1-Benzyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 158456815

Frequently Asked Questions

What is the IUPAC name of hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)?
The IUPAC name of hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide) (CID 157094736) is hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide).
What is the SMILES notation for hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)?
The canonical SMILES for hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide) is FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.FC(F)(F)c1cc(C(F)(F)F)[n-]n1.O=C(O)c1ccccc1[PH+](c1ccccc1)c1ccc(-c2ccncc2)cc1.O=C(O)c1ccccc1[PH+](c1ccccc1)c1ccc(-c2ccncc2)cc1.O=C(O)c1ccccc1[PH+](c1ccccc1)c1ccc(-c2ccncc2)cc1.O=C(O)c1ccccc1[PH+](c1ccccc1)c1ccc(-c2ccncc2)cc1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1cnccn1.[c-]1ccccc1-c1cnccn1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccncc1-c1ccccn1.[c-]1ccncc1-c1ccccn1.
What is the InChIKey of hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)?
The InChIKey is JASVMBAFCZXQJZ-UHFFFAOYSA-R. The full InChI is InChI=1S/4C24H18NO2P.8C15H10N.4C10H7N2.6C5HF6N2.6Cu.8Ir/c4*26-24(27)22-8-4-5-9-23(22)28(20-6-2-1-3-7-20)21-12-10-18(11-13-21)19-14-16-25-17-15-19;4*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;4*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;2*1-2-7-12-10(5-1)9-4-3-6-11-8-9;2*1-2-4-9(5-3-1)10-8-11-6-7-12-10;6*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;;;/h4*1-17H,(H,26,27);4*1-7,9-11H;4*1-6,8-11H;2*1-3,5-8H;2*1-4,6-8H;6*1H;;;;;;;;;;;;;;/q;;;;18*-1;6*+1;;;;;;;;/p+4.
What are the key properties of hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)?
hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide) has a molecular weight of 6929.72 g/mol, XLogP of 65.56, 32 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);hexakis(copper(1+));octakis(iridium);tetrakis(1-phenylisoquinoline);bis(2-phenylpyrazine);tetrakis(2-phenylquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide) is sourced from PubChem (CID 157094736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).