tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole

C108H73F11Ir4N20-8 — CID 159265630

IUPACtetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole
SMILESCc1c[n-]c(-c2cc3c4ccccc4n(C)c3cn2)n1.Cc1nc(-c2cc3c4ccccc4n(C)c3cn2)[n-]c1C.Cn1c2ccccc2c2cc(-c3nc(C(F)(F)F)c[n-]3)ncc21.Cn1c2ccccc2c2cc(-c3ncc[n-]3)ncc21.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C17H15N4.C16H10F3N4.C16H13N4.C15H11N4.4C11H6F2N.4Ir/c1-10-11(2)20-17(19-10)14-8-13-12-6-4-5-7-15(12)21(3)16(13)9-18-14;1-23-12-5-3-2-4-9(12)10-6-11(20-7-13(10)23)15-21-8-14(22-15)16(17,18)19;1-10-8-18-16(19-10)13-7-12-11-5-3-4-6-14(11)20(2)15(12)9-17-13;1-19-13-5-3-2-4-10(13)11-8-12(18-9-14(11)19)15-16-6-7-17-15;4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;/h4-9H,1-3H3;2-8H,1H3;3-9H,1-2H3;2-9H,1H3;4*1-4,6-7H;;;;/q8*-1;;;;
InChIKeyCUPKTLHCZBAKQI-UHFFFAOYSA-N
MW2628.76 g/mol
LogP24.22
Rot. Bonds8

About tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole

tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole (PubChem CID 159265630) has the molecular formula C108H73F11Ir4N20-8 and a molecular weight of 2628.76 g/mol. Its IUPAC name is tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole.

Molecular Properties

Compound Nametetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole
PubChem CID159265630
Molecular FormulaC108H73F11Ir4N20-8
Molecular Weight2628.76 g/mol
Exact Mass2630.47
IUPAC Nametetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole
SMILESCc1c[n-]c(-c2cc3c4ccccc4n(C)c3cn2)n1.Cc1nc(-c2cc3c4ccccc4n(C)c3cn2)[n-]c1C.Cn1c2ccccc2c2cc(-c3nc(C(F)(F)F)c[n-]3)ncc21.Cn1c2ccccc2c2cc(-c3ncc[n-]3)ncc21.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C17H15N4.C16H10F3N4.C16H13N4.C15H11N4.4C11H6F2N.4Ir/c1-10-11(2)20-17(19-10)14-8-13-12-6-4-5-7-15(12)21(3)16(13)9-18-14;1-23-12-5-3-2-4-9(12)10-6-11(20-7-13(10)23)15-21-8-14(22-15)16(17,18)19;1-10-8-18-16(19-10)13-7-12-11-5-3-4-6-14(11)20(2)15(12)9-17-13;1-19-13-5-3-2-4-10(13)11-8-12(18-9-14(11)19)15-16-6-7-17-15;4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;/h4-9H,1-3H3;2-8H,1H3;3-9H,1-2H3;2-9H,1H3;4*1-4,6-7H;;;;/q8*-1;;;;
InChIKeyCUPKTLHCZBAKQI-UHFFFAOYSA-N
XLogP24.22
TPSA230.80 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002628.76
LogP ≤ 524.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole?
The IUPAC name of tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole (CID 159265630) is tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole.
What is the SMILES notation for tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole?
The canonical SMILES for tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole is Cc1c[n-]c(-c2cc3c4ccccc4n(C)c3cn2)n1.Cc1nc(-c2cc3c4ccccc4n(C)c3cn2)[n-]c1C.Cn1c2ccccc2c2cc(-c3nc(C(F)(F)F)c[n-]3)ncc21.Cn1c2ccccc2c2cc(-c3ncc[n-]3)ncc21.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole?
The InChIKey is CUPKTLHCZBAKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N4.C16H10F3N4.C16H13N4.C15H11N4.4C11H6F2N.4Ir/c1-10-11(2)20-17(19-10)14-8-13-12-6-4-5-7-15(12)21(3)16(13)9-18-14;1-23-12-5-3-2-4-9(12)10-6-11(20-7-13(10)23)15-21-8-14(22-15)16(17,18)19;1-10-8-18-16(19-10)13-7-12-11-5-3-4-6-14(11)20(2)15(12)9-17-13;1-19-13-5-3-2-4-10(13)11-8-12(18-9-14(11)19)15-16-6-7-17-15;4*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;/h4-9H,1-3H3;2-8H,1H3;3-9H,1-2H3;2-9H,1H3;4*1-4,6-7H;;;;/q8*-1;;;;.
What are the key properties of tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole?
tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole has a molecular weight of 2628.76 g/mol, XLogP of 24.22, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole is sourced from PubChem (CID 159265630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).