2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid

C102H84F5Ir3N8O9Si-3 — CID 161132441

IUPAC2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)c(C)c(C)c1C.FC(F)(F)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.Fc1ccc([Si]2(c3ccc(F)cc3)c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.O=C(O)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir]
InChIInChI=1S/C29H18F2NOSi.C24H14F3N2O.C22H21N2O.C11H13NO2.C10H13NO2.C6H5NO2.3Ir/c30-20-11-15-22(16-12-20)34(23-17-13-21(31)14-18-23)27-9-2-1-8-26(27)33-29-24(6-5-10-28(29)34)25-7-3-4-19-32-25;25-24(26,27)16-11-13-17(14-12-16)29-20-8-1-2-10-22(20)30-23-18(6-5-9-21(23)29)19-7-3-4-15-28-19;1-13-9-10-20-21(16(13)4)25-22-17(7-6-8-19(22)24(20)5)18-11-14(2)15(3)12-23-18;13-11(14)10-6-5-9(7-12-10)8-3-1-2-4-8;1-5-6(2)8(4)11-9(7(5)3)10(12)13;8-6(9)5-3-1-2-4-7-5;;;/h1-5,7-19H;1-5,7-15H;6,8-12H,1-5H3;5-8H,1-4H2,(H,13,14);1-4H3,(H,12,13);1-4H,(H,8,9);;;/q3*-1;;;;;;/i;;5D3;;;;;;
InChIKeyUVFIYESMNCTAJO-BNKMLQQGSA-N
MW2268.59 g/mol
LogP22.33
Rot. Bonds11

About 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid

2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid (PubChem CID 161132441) has the molecular formula C102H84F5Ir3N8O9Si-3 and a molecular weight of 2268.59 g/mol. Its IUPAC name is 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid
PubChem CID161132441
Molecular FormulaC102H84F5Ir3N8O9Si-3
Molecular Weight2268.59 g/mol
Exact Mass2269.51
IUPAC Name2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid
SMILESCc1nc(C(=O)O)c(C)c(C)c1C.FC(F)(F)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.Fc1ccc([Si]2(c3ccc(F)cc3)c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.O=C(O)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir]
InChIInChI=1S/C29H18F2NOSi.C24H14F3N2O.C22H21N2O.C11H13NO2.C10H13NO2.C6H5NO2.3Ir/c30-20-11-15-22(16-12-20)34(23-17-13-21(31)14-18-23)27-9-2-1-8-26(27)33-29-24(6-5-10-28(29)34)25-7-3-4-19-32-25;25-24(26,27)16-11-13-17(14-12-16)29-20-8-1-2-10-22(20)30-23-18(6-5-9-21(23)29)19-7-3-4-15-28-19;1-13-9-10-20-21(16(13)4)25-22-17(7-6-8-19(22)24(20)5)18-11-14(2)15(3)12-23-18;13-11(14)10-6-5-9(7-12-10)8-3-1-2-4-8;1-5-6(2)8(4)11-9(7(5)3)10(12)13;8-6(9)5-3-1-2-4-7-5;;;/h1-5,7-19H;1-5,7-15H;6,8-12H,1-5H3;5-8H,1-4H2,(H,13,14);1-4H3,(H,12,13);1-4H,(H,8,9);;;/q3*-1;;;;;;/i;;5D3;;;;;;
InChIKeyUVFIYESMNCTAJO-BNKMLQQGSA-N
XLogP22.33
TPSA223.41 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002268.59
LogP ≤ 522.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-cyclopentylpyridine-2-carboxylic acid;iridium;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide
CID 153433092
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]quinoline;2-(3-ethylbenzene-6-id-1-yl)quinoline;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(6-methoxy-3H-naphthalen-3-id-2-yl)quinoline;2-(3-methylbenzene-2-id-1-yl)-3-propan-2-ylquinoline;pyridine-2-carboxylic acid
CID 159103362
10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;5-cyclopentylpyridine-2-carboxylic acid;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(9,9-difluoro-2H-xanthen-2-id-1-yl)pyridine;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;tetrakis(iridium);5-(5-methoxythiophen-3-yl)pyridine-2-carboxylic acid;pyridine-2-carboxylic acid;3,4,5,6-tetramethylpyridine-2-carboxylic acid
CID 159306397
bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)-5-(trifluoromethyl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)-5-phenylpyridine;2-(5,5-diphenyl-3H-benzo[b][1]benzosilol-3-id-4-yl)pyridine;pentakis(iridium);9-methyl-1-pyridin-2-yl-2H-carbazol-2-ide
CID 159450534
2-(3-ethylbenzene-6-id-1-yl)quinoline;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(6-methoxy-3H-naphthalen-3-id-2-yl)quinoline;2-phenyl-3-propan-2-ylquinoline;pyridine-2-carboxylic acid;2-[3-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 159528813
2-(3-ethylbenzene-6-id-1-yl)quinoline;bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(6-methoxy-3H-naphthalen-3-id-2-yl)quinoline;2-(3-methylbenzene-2-id-1-yl)-3-propan-2-ylquinoline;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]quinoline;pyridine-2-carboxylic acid
CID 159670999
6-cyclohexyl-2-phenylquinoline;2-(3-ethylbenzene-6-id-1-yl)quinoline;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(6-methoxy-3H-naphthalen-3-id-2-yl)quinoline;2-(3-methylbenzene-2-id-1-yl)-3-propan-2-ylquinoline;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]quinoline;pyridine-2-carboxylic acid
CID 161963761
5-cyclopentylpyridine-2-carboxylic acid;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium
CID 153432917
bis(10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide);5-cyclopentylpyridine-2-carboxylic acid;bis(2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine);tetrakis(iridium);2-phenylpyridine;pyridine-2-carboxylic acid;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine
CID 157513570
4-(5-cyclohexyl-2-pyridinyl)-10-methyl-9,9-dipyridin-4-yl-3H-acridin-3-ide;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;tris(iridium);5-phenylpyridine-2-carboxylic acid;10-(4-propan-2-ylphenyl)-4-pyridin-2-yl-3H-phenoxazin-3-ide;pyridine-2-carboxylic acid;5-pyridin-4-ylpyridine-2-carboxylic acid
CID 157523321
bis(5-cyclopentylpyridine-2-carboxylic acid);2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)pyridine;5,10-dimethyl-1-pyridin-2-yl-2H-phenazin-2-ide;6,7-dimethyl-4-pyridin-2-yl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);bis(pyridine-2-carboxylic acid);3,4,5,6-tetramethylpyridine-2-carboxylic acid
CID 157554489
CID 157904838
CID 157904838

Frequently Asked Questions

What is the IUPAC name of 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The IUPAC name of 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid (CID 161132441) is 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid.
What is the SMILES notation for 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The canonical SMILES for 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid is Cc1nc(C(=O)O)c(C)c(C)c1C.FC(F)(F)c1ccc(N2c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.Fc1ccc([Si]2(c3ccc(F)cc3)c3ccccc3Oc3c(-c4ccccn4)[c-]ccc32)cc1.O=C(O)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[Ir].[Ir].
What is the InChIKey of 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
The InChIKey is UVFIYESMNCTAJO-BNKMLQQGSA-N. The full InChI is InChI=1S/C29H18F2NOSi.C24H14F3N2O.C22H21N2O.C11H13NO2.C10H13NO2.C6H5NO2.3Ir/c30-20-11-15-22(16-12-20)34(23-17-13-21(31)14-18-23)27-9-2-1-8-26(27)33-29-24(6-5-10-28(29)34)25-7-3-4-19-32-25;25-24(26,27)16-11-13-17(14-12-16)29-20-8-1-2-10-22(20)30-23-18(6-5-9-21(23)29)19-7-3-4-15-28-19;1-13-9-10-20-21(16(13)4)25-22-17(7-6-8-19(22)24(20)5)18-11-14(2)15(3)12-23-18;13-11(14)10-6-5-9(7-12-10)8-3-1-2-4-8;1-5-6(2)8(4)11-9(7(5)3)10(12)13;8-6(9)5-3-1-2-4-7-5;;;/h1-5,7-19H;1-5,7-15H;6,8-12H,1-5H3;5-8H,1-4H2,(H,13,14);1-4H3,(H,12,13);1-4H,(H,8,9);;;/q3*-1;;;;;;/i;;5D3;;;;;;.
What are the key properties of 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid?
2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid has a molecular weight of 2268.59 g/mol, XLogP of 22.33, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10,10-bis(4-fluorophenyl)-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl]pyridine;5-cyclopentylpyridine-2-carboxylic acid;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;tris(iridium);pyridine-2-carboxylic acid;4-pyridin-2-yl-10-[4-(trifluoromethyl)phenyl]-3H-phenoxazin-3-ide;3,4,5,6-tetramethylpyridine-2-carboxylic acid is sourced from PubChem (CID 161132441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).