2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid

C88H73Ir3N8O7SSe4-3 — CID 161172221

IUPAC2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid
SMILESCC1(C)c2ccccc2[Se]c2cc[c-]c(-c3cc4nccnc4cn3)c21.CCC1(CC)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.COc1cc(-c2ccc(C(=O)O)nc2)cs1.Cc1nc(C(=O)O)c(C)c(C)c1C.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)[Se]c1ccccc1[Se]2
InChIInChI=1S/C22H16N3Se.C22H20NSe.C17H10NSe2.C11H9NO3S.C10H13NO2.C6H5NO2.3Ir/c1-22(2)15-7-3-4-8-19(15)26-20-9-5-6-14(21(20)22)16-12-17-18(13-25-16)24-11-10-23-17;1-3-22(4-2)17-11-5-6-13-19(17)24-20-14-9-10-16(21(20)22)18-12-7-8-15-23-18;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-15-10-4-8(6-16-10)7-2-3-9(11(13)14)12-5-7;1-5-6(2)8(4)11-9(7(5)3)10(12)13;8-6(9)5-3-1-2-4-7-5;;;/h3-5,7-13H,1-2H3;5-9,11-15H,3-4H2,1-2H3;1-5,7-11H;2-6H,1H3,(H,13,14);1-4H3,(H,12,13);1-4H,(H,8,9);;;/q3*-1;;;;;;
InChIKeyGYLZALRSEUVEHG-UHFFFAOYSA-N
MW2279.16 g/mol
LogP11.88
Rot. Bonds10

About 2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid

2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid (PubChem CID 161172221) has the molecular formula C88H73Ir3N8O7SSe4-3 and a molecular weight of 2279.16 g/mol. Its IUPAC name is 2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid
PubChem CID161172221
Molecular FormulaC88H73Ir3N8O7SSe4-3
Molecular Weight2279.16 g/mol
Exact Mass2284.09
IUPAC Name2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid
SMILESCC1(C)c2ccccc2[Se]c2cc[c-]c(-c3cc4nccnc4cn3)c21.CCC1(CC)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.COc1cc(-c2ccc(C(=O)O)nc2)cs1.Cc1nc(C(=O)O)c(C)c(C)c1C.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)[Se]c1ccccc1[Se]2
InChIInChI=1S/C22H16N3Se.C22H20NSe.C17H10NSe2.C11H9NO3S.C10H13NO2.C6H5NO2.3Ir/c1-22(2)15-7-3-4-8-19(15)26-20-9-5-6-14(21(20)22)16-12-17-18(13-25-16)24-11-10-23-17;1-3-22(4-2)17-11-5-6-13-19(17)24-20-14-9-10-16(21(20)22)18-12-7-8-15-23-18;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-15-10-4-8(6-16-10)7-2-3-9(11(13)14)12-5-7;1-5-6(2)8(4)11-9(7(5)3)10(12)13;8-6(9)5-3-1-2-4-7-5;;;/h3-5,7-13H,1-2H3;5-9,11-15H,3-4H2,1-2H3;1-5,7-11H;2-6H,1H3,(H,13,14);1-4H3,(H,12,13);1-4H,(H,8,9);;;/q3*-1;;;;;;
InChIKeyGYLZALRSEUVEHG-UHFFFAOYSA-N
XLogP11.88
TPSA224.25 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002279.16
LogP ≤ 511.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid with MolForge

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Related Compounds

2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid
CID 159148934
3-[9-(3-Methoxyphenyl)pyrido[3,4-b]indol-3-yl]-9-(6-thiophen-2-yl-3-pyridinyl)pyrido[3,4-b]indole;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate
CID 140711360
iridium;5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine
CID 153433112
2-(5,5-dipropyl-8-pyridin-2-yl-9H-indeno[1,2-b]pyridin-9-id-2-yl)phenol;nickel;2-(5-propyl-8-pyridin-2-yl-9H-pyrido[3,2-b]indol-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzofuro[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzoselenolo[3,2-b]pyridin-9-id-2-yl)phenol;2-(8-pyridin-2-yl-9H-[1]benzothiolo[3,2-b]pyridin-9-id-2-yl)phenol
CID 157286340
2-[10,10-bis(5-methoxythiophen-3-yl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;10-methyl-9,9-diphenyl-4-pyridin-2-yl-3H-acridin-3-ide;10-methyl-5-phenyl-1-pyridin-2-yl-2H-phenazin-2-ide;9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide;pyridine-2-carboxylic acid;5-pyridin-4-ylpyridine-2-carboxylic acid
CID 157382070
2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;bis(5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide);bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);5-fluoropyridine-2-carboxylic acid;tetrakis(iridium);2-[6-(5-methoxythiophen-3-yl)-3H-dibenzothiophen-3-id-4-yl]pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid
CID 157653051
2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine;4,5-dimethyl-2-phenylpyridine;3-(9,9-dimethyl-2H-xanthen-2-id-1-yl)-5,6,7,8-tetrahydroisoquinoline;2-(10,10-dithiophen-2-yl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;pentakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;1-(2H-selenanthren-2-id-1-yl)isoquinoline;2-(3H-selenanthren-3-id-2-yl)pyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 160173280
2-[10,10-bis(4-methoxyphenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;1,3-dipyridin-4-ylprop-1-ene-1,3-diol;2-[10,10-di(thiophen-3-yl)-3H-benzo[b][1,4]benzoxasilin-3-id-2-yl]pyridine;tetrakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide;pent-2-ene-2,4-diol;pyridine-2-carboxylic acid;9,9,10-trimethyl-4-[5-(5-methyl-3-pyridinyl)-2-pyridinyl]-3H-acridin-3-ide;9,9,10-trimethyl-4-(5,6,7,8-tetrahydroisoquinolin-3-yl)-3H-acridin-3-ide
CID 162287566
10,10-bis(4-methoxyphenyl)-5-methyl-4-pyridin-2-yl-3H-benzo[b][1,4]benzazasilin-3-ide;1,3-dipyridin-4-ylprop-1-ene-1,3-diol;2-[10,10-di(thiophen-3-yl)-3H-benzo[b][1,4]benzoxasilin-3-id-2-yl]pyridine;tetrakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide;pent-2-ene-2,4-diol;pyridine-2-carboxylic acid;9,9,10-trimethyl-4-[5-(5-methyl-3-pyridinyl)-2-pyridinyl]-3H-acridin-3-ide;9,9,10-trimethyl-4-(5,6,7,8-tetrahydroisoquinolin-3-yl)-3H-acridin-3-ide
CID 162287568

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The IUPAC name of 2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid (CID 161172221) is 2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid.
What is the SMILES notation for 2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The canonical SMILES for 2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid is CC1(C)c2ccccc2[Se]c2cc[c-]c(-c3cc4nccnc4cn3)c21.CCC1(CC)c2ccccc2[Se]c2cc[c-]c(-c3ccccn3)c21.COc1cc(-c2ccc(C(=O)O)nc2)cs1.Cc1nc(C(=O)O)c(C)c(C)c1C.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)[Se]c1ccccc1[Se]2.
What is the InChIKey of 2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The InChIKey is GYLZALRSEUVEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N3Se.C22H20NSe.C17H10NSe2.C11H9NO3S.C10H13NO2.C6H5NO2.3Ir/c1-22(2)15-7-3-4-8-19(15)26-20-9-5-6-14(21(20)22)16-12-17-18(13-25-16)24-11-10-23-17;1-3-22(4-2)17-11-5-6-13-19(17)24-20-14-9-10-16(21(20)22)18-12-7-8-15-23-18;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-15-10-4-8(6-16-10)7-2-3-9(11(13)14)12-5-7;1-5-6(2)8(4)11-9(7(5)3)10(12)13;8-6(9)5-3-1-2-4-7-5;;;/h3-5,7-13H,1-2H3;5-9,11-15H,3-4H2,1-2H3;1-5,7-11H;2-6H,1H3,(H,13,14);1-4H3,(H,12,13);1-4H,(H,8,9);;;/q3*-1;;;;;;.
What are the key properties of 2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid has a molecular weight of 2279.16 g/mol, XLogP of 11.88, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-diethyl-2H-selenoxanthen-2-id-1-yl)pyridine;7-(9,9-dimethyl-2H-selenoxanthen-2-id-1-yl)pyrido[3,4-b]pyrazine;tris(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;2-(2H-selenanthren-2-id-1-yl)pyridine;3,4,5,6-tetramethylpyridine-2-carboxylic acid is sourced from PubChem (CID 161172221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).