3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium)

C156H111F14Ir7N14O21-7 — CID 160578468

IUPAC3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium)
SMILESCCc1c(COc2cccnc2C(=O)O)c(CC)c(COc2cccnc2C(=O)O)c(CC)c1COc1cccnc1C(=O)O.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.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ncccc1OCc1ccc(-c2ccc(COc3cccnc3C(=O)O)cc2)cc1.O=C(O)c1ncccc1OCc1ccc(COc2cccnc2C(=O)O)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C33H33N3O9.C26H20N2O6.C20H16N2O6.7C11H6F2N.7Ir/c1-4-19-22(16-43-25-10-7-13-34-28(25)31(37)38)20(5-2)24(18-45-27-12-9-15-36-30(27)33(41)42)21(6-3)23(19)17-44-26-11-8-14-35-29(26)32(39)40;29-25(30)23-21(3-1-13-27-23)33-15-17-5-9-19(10-6-17)20-11-7-18(8-12-20)16-34-22-4-2-14-28-24(22)26(31)32;23-19(24)17-15(3-1-9-21-17)27-11-13-5-7-14(8-6-13)12-28-16-4-2-10-22-18(16)20(25)26;7*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;;;;/h7-15H,4-6,16-18H2,1-3H3,(H,37,38)(H,39,40)(H,41,42);1-14H,15-16H2,(H,29,30)(H,31,32);1-10H,11-12H2,(H,23,24)(H,25,26);7*1-4,6-7H;;;;;;;/q;;;7*-1;;;;;;;
InChIKeyKNDYJKWTSYJHFC-UHFFFAOYSA-N
MW4129.17 g/mol
LogP32.89
Rot. Bonds39

About 3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium)

3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium) (PubChem CID 160578468) has the molecular formula C156H111F14Ir7N14O21-7 and a molecular weight of 4129.17 g/mol. Its IUPAC name is 3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium).

Molecular Properties

Compound Name3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium)
PubChem CID160578468
Molecular FormulaC156H111F14Ir7N14O21-7
Molecular Weight4129.17 g/mol
Exact Mass4132.53
IUPAC Name3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium)
SMILESCCc1c(COc2cccnc2C(=O)O)c(CC)c(COc2cccnc2C(=O)O)c(CC)c1COc1cccnc1C(=O)O.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.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ncccc1OCc1ccc(-c2ccc(COc3cccnc3C(=O)O)cc2)cc1.O=C(O)c1ncccc1OCc1ccc(COc2cccnc2C(=O)O)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C33H33N3O9.C26H20N2O6.C20H16N2O6.7C11H6F2N.7Ir/c1-4-19-22(16-43-25-10-7-13-34-28(25)31(37)38)20(5-2)24(18-45-27-12-9-15-36-30(27)33(41)42)21(6-3)23(19)17-44-26-11-8-14-35-29(26)32(39)40;29-25(30)23-21(3-1-13-27-23)33-15-17-5-9-19(10-6-17)20-11-7-18(8-12-20)16-34-22-4-2-14-28-24(22)26(31)32;23-19(24)17-15(3-1-9-21-17)27-11-13-5-7-14(8-6-13)12-28-16-4-2-10-22-18(16)20(25)26;7*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;;;;/h7-15H,4-6,16-18H2,1-3H3,(H,37,38)(H,39,40)(H,41,42);1-14H,15-16H2,(H,29,30)(H,31,32);1-10H,11-12H2,(H,23,24)(H,25,26);7*1-4,6-7H;;;;;;;/q;;;7*-1;;;;;;;
InChIKeyKNDYJKWTSYJHFC-UHFFFAOYSA-N
XLogP32.89
TPSA506.17 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds39
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004129.17
LogP ≤ 532.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium) with MolForge

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Launch Full Analysis

Related Compounds

tetrakis(1-[2-(2,4-diphenoxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);pyridine-2-carboxylic acid
CID 157763976
2-[3-[3,5-bis(4-octan-3-ylphenyl)phenoxy]benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-[3-(3,5-diphenylphenoxy)benzene-6-id-1-yl]pyridine;4-hydroxypent-3-en-2-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;hexakis(iridium);4-methyl-2-phenyl-6-(trifluoromethyl)pyridine;pentane-2,4-diol;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;bis(pyridine-2-carboxylic acid);bis(rhodium);bis(2-(3H-thiophen-3-id-2-yl)pyridine)
CID 158304159
3-[6-[4-[3,5-Bis[4-[6-[(2-carboxy-3-pyridinyl)oxy]hexoxy]phenyl]phenyl]phenoxy]hexoxy]pyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);platinum
CID 139257779
3-[[4-[[3,5-Bis[[3,5-di(carbazol-9-yl)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]pyridine-2-carboxylic acid;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium
CID 57711855
3-[[3,5-Bis[[3,5-di(carbazol-9-yl)phenyl]methoxy]phenyl]methoxy]pyridine-2-carboxylic acid;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium
CID 57711867
3-[[3-[[3,5-Di(carbazol-9-yl)phenyl]methoxy]-5-methoxycarbonylphenyl]methoxy]pyridine-2-carboxylic acid;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium
CID 57824252
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid;iridium
CID 58914246
3-[4-[3-[4-[(2-Carboxy-3-pyridinyl)oxycarbonyl]benzoyl]oxyphenoxy]carbonylbenzoyl]oxypyridine-2-carboxylic acid;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(iridium)
CID 59594982
3-[4-[3-[4-[(2-Carboxy-3-pyridinyl)oxycarbonyl]benzoyl]oxyphenoxy]carbonylbenzoyl]oxypyridine-2-carboxylic acid;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);2-(4-fluoro-2-methylbenzene-6-id-1-yl)pyridine;bis(iridium)
CID 59594984
3-[4-[3-Carbazol-9-yl-5-[4-[(2-carboxy-3-pyridinyl)oxycarbonyl]benzoyl]oxyphenoxy]carbonylbenzoyl]oxypyridine-2-carboxylic acid;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(iridium)
CID 91866148
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium;3-[6-[3-[6-[[4-(N-phenylanilino)phenyl]methoxy]hexoxymethyl]carbazol-9-yl]hexoxy]pyridine-2-carboxylic acid
CID 91866636
3-[[3,5-Di(carbazol-9-yl)phenyl]methoxy]pyridine-2-carboxylic acid;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium
CID 135967683

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium)?
The IUPAC name of 3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium) (CID 160578468) is 3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium).
What is the SMILES notation for 3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium)?
The canonical SMILES for 3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium) is CCc1c(COc2cccnc2C(=O)O)c(CC)c(COc2cccnc2C(=O)O)c(CC)c1COc1cccnc1C(=O)O.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.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ncccc1OCc1ccc(-c2ccc(COc3cccnc3C(=O)O)cc2)cc1.O=C(O)c1ncccc1OCc1ccc(COc2cccnc2C(=O)O)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium)?
The InChIKey is KNDYJKWTSYJHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O9.C26H20N2O6.C20H16N2O6.7C11H6F2N.7Ir/c1-4-19-22(16-43-25-10-7-13-34-28(25)31(37)38)20(5-2)24(18-45-27-12-9-15-36-30(27)33(41)42)21(6-3)23(19)17-44-26-11-8-14-35-29(26)32(39)40;29-25(30)23-21(3-1-13-27-23)33-15-17-5-9-19(10-6-17)20-11-7-18(8-12-20)16-34-22-4-2-14-28-24(22)26(31)32;23-19(24)17-15(3-1-9-21-17)27-11-13-5-7-14(8-6-13)12-28-16-4-2-10-22-18(16)20(25)26;7*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;;;;;;;/h7-15H,4-6,16-18H2,1-3H3,(H,37,38)(H,39,40)(H,41,42);1-14H,15-16H2,(H,29,30)(H,31,32);1-10H,11-12H2,(H,23,24)(H,25,26);7*1-4,6-7H;;;;;;;/q;;;7*-1;;;;;;;.
What are the key properties of 3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium)?
3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium) has a molecular weight of 4129.17 g/mol, XLogP of 32.89, 39 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-bis[(2-carboxy-3-pyridinyl)oxymethyl]-2,4,6-triethylphenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]methoxy]pyridine-2-carboxylic acid;3-[[4-[4-[(2-carboxy-3-pyridinyl)oxymethyl]phenyl]phenyl]methoxy]pyridine-2-carboxylic acid;heptakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);heptakis(iridium) is sourced from PubChem (CID 160578468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).