bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid

C85H72F2Ir3N10O5-4 — CID 160600320

IUPACbis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid
SMILESCC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.Cc1nc(C(=O)O)c(C)c(C)c1C.Fc1c[c-]c(-c2ccccn2)cc1.O=C(O)c1ccc(F)cn1.[Ir].[Ir].[Ir]
InChIInChI=1S/C20H16NO.2C19H16N3.C11H7FN.C10H13NO2.C6H4FNO2.3Ir/c1-20(2)15-7-3-4-9-18(15)22-19-11-10-14(13-16(19)20)17-8-5-6-12-21-17;2*1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-5-6(2)8(4)11-9(7(5)3)10(12)13;7-4-1-2-5(6(9)10)8-3-4;;;/h3*3-9,11-13H,1-2H3;1-4,6-8H;1-4H3,(H,12,13);1-3H,(H,9,10);;;/q4*-1;;;;;
InChIKeyUWQKOCPGOUYEDC-UHFFFAOYSA-N
MW1928.22 g/mol
LogP19.39
Rot. Bonds6

About bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid

bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid (PubChem CID 160600320) has the molecular formula C85H72F2Ir3N10O5-4 and a molecular weight of 1928.22 g/mol. Its IUPAC name is bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid.

Molecular Properties

Compound Namebis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid
PubChem CID160600320
Molecular FormulaC85H72F2Ir3N10O5-4
Molecular Weight1928.22 g/mol
Exact Mass1929.46
IUPAC Namebis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid
SMILESCC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.Cc1nc(C(=O)O)c(C)c(C)c1C.Fc1c[c-]c(-c2ccccn2)cc1.O=C(O)c1ccc(F)cn1.[Ir].[Ir].[Ir]
InChIInChI=1S/C20H16NO.2C19H16N3.C11H7FN.C10H13NO2.C6H4FNO2.3Ir/c1-20(2)15-7-3-4-9-18(15)22-19-11-10-14(13-16(19)20)17-8-5-6-12-21-17;2*1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-5-6(2)8(4)11-9(7(5)3)10(12)13;7-4-1-2-5(6(9)10)8-3-4;;;/h3*3-9,11-13H,1-2H3;1-4,6-8H;1-4H3,(H,12,13);1-3H,(H,9,10);;;/q4*-1;;;;;
InChIKeyUWQKOCPGOUYEDC-UHFFFAOYSA-N
XLogP19.39
TPSA174.13 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001928.22
LogP ≤ 519.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The IUPAC name of bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid (CID 160600320) is bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid.
What is the SMILES notation for bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The canonical SMILES for bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid is CC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.Cc1nc(C(=O)O)c(C)c(C)c1C.Fc1c[c-]c(-c2ccccn2)cc1.O=C(O)c1ccc(F)cn1.[Ir].[Ir].[Ir].
What is the InChIKey of bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The InChIKey is UWQKOCPGOUYEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16NO.2C19H16N3.C11H7FN.C10H13NO2.C6H4FNO2.3Ir/c1-20(2)15-7-3-4-9-18(15)22-19-11-10-14(13-16(19)20)17-8-5-6-12-21-17;2*1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-5-6(2)8(4)11-9(7(5)3)10(12)13;7-4-1-2-5(6(9)10)8-3-4;;;/h3*3-9,11-13H,1-2H3;1-4,6-8H;1-4H3,(H,12,13);1-3H,(H,9,10);;;/q4*-1;;;;;.
What are the key properties of bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid?
bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid has a molecular weight of 1928.22 g/mol, XLogP of 19.39, 6 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;5-fluoropyridine-2-carboxylic acid;tris(iridium);3,4,5,6-tetramethylpyridine-2-carboxylic acid is sourced from PubChem (CID 160600320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).