tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)

C268H184Cu4F24Ir8N32O8P4-8 — CID 160676240

IUPACtetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-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.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+].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/4C24H18NO2P.4C15H10N.4C12H8N3.4C11H8N.4C5HF6N2.4Cu.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*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;4*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;4*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;/h4*1-17H,(H,26,27);4*1-6,8-11H;4*1-8H;4*1-6,8-9H;4*1H;;;;;;;;;;;;/q;;;;16*-1;4*+1;;;;;;;;/p+4
InChIKeyFYGXEEQDOQVPMA-UHFFFAOYSA-R
MW6352.40 g/mol
LogP58.04
Rot. Bonds32

About tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)

tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide) (PubChem CID 160676240) has the molecular formula C268H184Cu4F24Ir8N32O8P4-8 and a molecular weight of 6352.40 g/mol. Its IUPAC name is tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide).

Molecular Properties

Compound Nametetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)
PubChem CID160676240
Molecular FormulaC268H184Cu4F24Ir8N32O8P4-8
Molecular Weight6352.40 g/mol
Exact Mass6352.78
IUPAC Nametetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-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.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+].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1
InChIInChI=1S/4C24H18NO2P.4C15H10N.4C12H8N3.4C11H8N.4C5HF6N2.4Cu.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*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;4*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;4*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;/h4*1-17H,(H,26,27);4*1-6,8-11H;4*1-8H;4*1-6,8-9H;4*1H;;;;;;;;;;;;/q;;;;16*-1;4*+1;;;;;;;;/p+4
InChIKeyFYGXEEQDOQVPMA-UHFFFAOYSA-R
XLogP58.04
TPSA571.36 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms348
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006352.40
LogP ≤ 558.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)?
The IUPAC name of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide) (CID 160676240) is tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide).
What is the SMILES notation for tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)?
The canonical SMILES for tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-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.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+].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-c2nc3ccccc3[n-]2)nc1.
What is the InChIKey of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)?
The InChIKey is FYGXEEQDOQVPMA-UHFFFAOYSA-R. The full InChI is InChI=1S/4C24H18NO2P.4C15H10N.4C12H8N3.4C11H8N.4C5HF6N2.4Cu.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*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;4*1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;4*6-4(7,8)2-1-3(13-12-2)5(9,10)11;;;;;;;;;;;;/h4*1-17H,(H,26,27);4*1-6,8-11H;4*1-8H;4*1-6,8-9H;4*1H;;;;;;;;;;;;/q;;;;16*-1;4*+1;;;;;;;;/p+4.
What are the key properties of tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)?
tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide) has a molecular weight of 6352.40 g/mol, XLogP of 58.04, 32 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);tetrakis(copper(1+));octakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-phenylquinoline);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide) is sourced from PubChem (CID 160676240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).