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)

C166H118Cu2F12Ir4N12O8P4 — CID 91867871

IUPACbis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);bis(copper(1+));tetrakis(iridium);tetrakis(2-phenylquinoline)
SMILESFC(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+].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/4C24H18NO2P.4C15H10N.2C5HF6N2.2Cu.4Ir/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;2*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;2*1H;;;;;;/q;;;;6*-1;2*+1;;;;/p+4
InChIKeyGTPWIKWFZSMAEJ-UHFFFAOYSA-R
MW3656.68 g/mol
LogP34.69
Rot. Bonds24

About 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)

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) (PubChem CID 91867871) has the molecular formula C166H118Cu2F12Ir4N12O8P4 and a molecular weight of 3656.68 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namebis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);bis(copper(1+));tetrakis(iridium);tetrakis(2-phenylquinoline)
PubChem CID91867871
Molecular FormulaC166H118Cu2F12Ir4N12O8P4
Molecular Weight3656.68 g/mol
Exact Mass3656.51
IUPAC Namebis(3,5-bis(trifluoromethyl)pyrazol-1-ide);tetrakis((2-carboxyphenyl)-phenyl-(4-pyridin-4-ylphenyl)phosphanium);bis(copper(1+));tetrakis(iridium);tetrakis(2-phenylquinoline)
SMILESFC(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+].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/4C24H18NO2P.4C15H10N.2C5HF6N2.2Cu.4Ir/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;2*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;2*1H;;;;;;/q;;;;6*-1;2*+1;;;;/p+4
InChIKeyGTPWIKWFZSMAEJ-UHFFFAOYSA-R
XLogP34.69
TPSA306.30 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003656.68
LogP ≤ 534.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is 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+].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.
What is the InChIKey of 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)?
The InChIKey is GTPWIKWFZSMAEJ-UHFFFAOYSA-R. The full InChI is InChI=1S/4C24H18NO2P.4C15H10N.2C5HF6N2.2Cu.4Ir/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;2*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;2*1H;;;;;;/q;;;;6*-1;2*+1;;;;/p+4.
What are the key properties of 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)?
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) has a molecular weight of 3656.68 g/mol, XLogP of 34.69, 24 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 91867871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).