2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine
C162H137Ir5N13O5Si-10 — CID 158847637
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine
SMILESCC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2N(C)c2c(-c3ccccn3)[c-]ccc21.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.Cc1[c-]c(-c2ccccn2)cc(C)c1C.Cc1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3ccccn3)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(C2CCCCC2)ccc1-c1ccccn1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C20H17N2O.C20H16NO.C19H16N3.C19H16NOSi.C17H10NO2.C17H18N.C14H14N.C13H12N.C12H10N.C11H8N.5Ir/c1-13-10-11-18-19(14(13)2)23-20-15(16-8-4-5-12-21-16)7-6-9-17(20)22(18)3;1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;1-21-16-10-3-4-11-17(16)22(2)19-14(8-7-12-18(19)21)15-9-5-6-13-20-15;1-22(2)18-12-4-3-10-16(18)21-17-11-7-8-14(19(17)22)15-9-5-6-13-20-15;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-8-13(9-11(2)12(10)3)14-6-4-5-7-15-14;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h4-6,8-12H,1-3H3;3*3-7,9-13H,1-2H3;1-5,7-11H;4-5,8-11,13-14H,1-3,6-7H2;4-8H,1-3H3;3-6,8-9H,1-2H3;2-7,9H,1H3;1-6,8-9H;;;;;/q10*-1;;;;;/i3D3;;;;;;;;1D3;;;;;;
InChIKeyQOJVURUJTVNPLL-GXCVNFAOSA-N
MW3341.17 g/mol
LogP38.97
Rot. Bonds13
About 2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine
2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine (PubChem CID 158847637) has the molecular formula C162H137Ir5N13O5Si-10 and a molecular weight of 3341.17 g/mol. Its IUPAC name is 2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine.
Molecular Properties
| Compound Name | 2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine |
|---|---|
| PubChem CID | 158847637 |
| Molecular Formula | C162H137Ir5N13O5Si-10 |
| Molecular Weight | 3341.17 g/mol |
| Exact Mass | 3342.92 |
| IUPAC Name | 2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine |
| SMILES | CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2N(C)c2c(-c3ccccn3)[c-]ccc21.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.Cc1[c-]c(-c2ccccn2)cc(C)c1C.Cc1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3ccccn3)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(C2CCCCC2)ccc1-c1ccccn1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccccc1-c1ccccn1 |
| InChI | InChI=1S/C20H17N2O.C20H16NO.C19H16N3.C19H16NOSi.C17H10NO2.C17H18N.C14H14N.C13H12N.C12H10N.C11H8N.5Ir/c1-13-10-11-18-19(14(13)2)23-20-15(16-8-4-5-12-21-16)7-6-9-17(20)22(18)3;1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;1-21-16-10-3-4-11-17(16)22(2)19-14(8-7-12-18(19)21)15-9-5-6-13-20-15;1-22(2)18-12-4-3-10-16(18)21-17-11-7-8-14(19(17)22)15-9-5-6-13-20-15;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-8-13(9-11(2)12(10)3)14-6-4-5-7-15-14;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h4-6,8-12H,1-3H3;3*3-7,9-13H,1-2H3;1-5,7-11H;4-5,8-11,13-14H,1-3,6-7H2;4-8H,1-3H3;3-6,8-9H,1-2H3;2-7,9H,1H3;1-6,8-9H;;;;;/q10*-1;;;;;/i3D3;;;;;;;;1D3;;;;;; |
| InChIKey | QOJVURUJTVNPLL-GXCVNFAOSA-N |
| XLogP | 38.97 |
| TPSA | 184.77 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 186 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3341.17 |
| LogP ≤ 5 | 38.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine?
The IUPAC name of 2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine (CID 158847637) is 2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine.
What is the SMILES notation for 2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine?
The canonical SMILES for 2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine is CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2N(C)c2c(-c3ccccn3)[c-]ccc21.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.Cc1[c-]c(-c2ccccn2)cc(C)c1C.Cc1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3ccccn3)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(C2CCCCC2)ccc1-c1ccccn1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine?
The InChIKey is QOJVURUJTVNPLL-GXCVNFAOSA-N. The full InChI is InChI=1S/C20H17N2O.C20H16NO.C19H16N3.C19H16NOSi.C17H10NO2.C17H18N.C14H14N.C13H12N.C12H10N.C11H8N.5Ir/c1-13-10-11-18-19(14(13)2)23-20-15(16-8-4-5-12-21-16)7-6-9-17(20)22(18)3;1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;1-21-16-10-3-4-11-17(16)22(2)19-14(8-7-12-18(19)21)15-9-5-6-13-20-15;1-22(2)18-12-4-3-10-16(18)21-17-11-7-8-14(19(17)22)15-9-5-6-13-20-15;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-8-13(9-11(2)12(10)3)14-6-4-5-7-15-14;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h4-6,8-12H,1-3H3;3*3-7,9-13H,1-2H3;1-5,7-11H;4-5,8-11,13-14H,1-3,6-7H2;4-8H,1-3H3;3-6,8-9H,1-2H3;2-7,9H,1H3;1-6,8-9H;;;;;/q10*-1;;;;;/i3D3;;;;;;;;1D3;;;;;;.
What are the key properties of 2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine?
2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine has a molecular weight of 3341.17 g/mol, XLogP of 38.97, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;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;4,5-dimethyl-2-phenylpyridine;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);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 158847637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158847637 — identifiers, structure, computed properties (public domain)
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