2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine

C109H91Ir3N7O3Si-6 — CID 162097836

IUPAC2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
SMILESCC1(C)c2ccccc2Oc2cc[c-]c(-c3ccc(-c4ccccc4)cn3)c21.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3cc(-c4ccccc4)ccn3)c21.Cc1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C26H20NO.C25H20NOSi.C22H21N2O.C13H12N.C12H10N.C11H8N.3Ir/c1-26(2)21-12-6-7-13-23(21)28-24-14-8-11-20(25(24)26)22-16-15-19(17-27-22)18-9-4-3-5-10-18;1-28(2)24-14-7-6-12-22(24)27-23-13-8-11-20(25(23)28)21-17-19(15-16-26-21)18-9-4-3-5-10-18;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;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;;;/h2*3-10,12-17H,1-2H3;6,8-12H,1-5H3;3-6,8-9H,1-2H3;2-7,9H,1H3;1-6,8-9H;;;/q6*-1;;;/i;;5D3;;1D3;;;;
InChIKeyMQIXORIENMXHNG-LLSSDBCTSA-N
MW2157.75 g/mol
LogP26.01
Rot. Bonds10

About 2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine

2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine (PubChem CID 162097836) has the molecular formula C109H91Ir3N7O3Si-6 and a molecular weight of 2157.75 g/mol. Its IUPAC name is 2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
PubChem CID162097836
Molecular FormulaC109H91Ir3N7O3Si-6
Molecular Weight2157.75 g/mol
Exact Mass2158.62
IUPAC Name2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
SMILESCC1(C)c2ccccc2Oc2cc[c-]c(-c3ccc(-c4ccccc4)cn3)c21.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3cc(-c4ccccc4)ccn3)c21.Cc1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C26H20NO.C25H20NOSi.C22H21N2O.C13H12N.C12H10N.C11H8N.3Ir/c1-26(2)21-12-6-7-13-23(21)28-24-14-8-11-20(25(24)26)22-16-15-19(17-27-22)18-9-4-3-5-10-18;1-28(2)24-14-7-6-12-22(24)27-23-13-8-11-20(25(23)28)21-17-19(15-16-26-21)18-9-4-3-5-10-18;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;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;;;/h2*3-10,12-17H,1-2H3;6,8-12H,1-5H3;3-6,8-9H,1-2H3;2-7,9H,1H3;1-6,8-9H;;;/q6*-1;;;/i;;5D3;;1D3;;;;
InChIKeyMQIXORIENMXHNG-LLSSDBCTSA-N
XLogP26.01
TPSA108.27 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002157.75
LogP ≤ 526.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine with MolForge

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Related Compounds

CID 163541925
CID 163541925
4,5-dimethyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-(1,1,2,2,2-pentadeuterioethyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenyl-5-(trideuteriomethyl)pyridine)
CID 162098213
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)pyridine;4-phenyl-2-phenylpyridine
CID 176756153
tetrakis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-phenyl-5-(trideuteriomethyl)pyridine;5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine
CID 160684487
8-[4-(3-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(4-fluorophenyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;pentakis(iridium);2-methyl-6-phenylpyridine;bis(4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine);bis(4-phenyl-2-phenylpyridine);bis(2-phenylpyridine);2-phenyl-4-[4-(trideuteriomethyl)phenyl]pyridine
CID 157265075
pentakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;4-(2-methylphenyl)-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;4-(2,3,4,5,6-pentadeuteriophenyl)-2-phenylpyridine;bis(5-phenyl-2-phenylpyridine);tris(2-phenylpyridine)
CID 159371989
iridium;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[3-[4-(trideuteriomethyl)phenyl]benzene-6-id-1-yl]pyridine
CID 164791666
pentakis(iridium);2-methyl-6-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;bis(2-(4-phenylbenzene-6-id-1-yl)pyridine);5-phenyl-2-phenylpyridine;tetrakis(2-phenylpyridine)
CID 158247432
tetrakis(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine;tris(2-phenylpyridine)
CID 158811687
iridium;4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-[9-[2,4,6-tri(propan-2-yl)phenyl]-3,9-dihydroxanthen-3-id-4-yl]pyridine
CID 158876664
4,5-dimethyl-2-phenylpyridine;dimethyl-phenyl-[4-[5-(trideuteriomethyl)-2-pyridinyl]benzene-5-id-1-yl]silane;ethyl-methyl-[4-(4-methyl-2-pyridinyl)benzene-5-id-1-yl]-phenylsilane;bis(iridium);2-phenyl-4-(trideuteriomethyl)pyridine
CID 158761094
CID 163540865
CID 163540865

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of 2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine (CID 162097836) is 2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for 2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine is CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccc(-c4ccccc4)cn3)c21.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3cc(-c4ccccc4)ccn3)c21.Cc1cnc(-c2[c-]cccc2)cc1C.[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is MQIXORIENMXHNG-LLSSDBCTSA-N. The full InChI is InChI=1S/C26H20NO.C25H20NOSi.C22H21N2O.C13H12N.C12H10N.C11H8N.3Ir/c1-26(2)21-12-6-7-13-23(21)28-24-14-8-11-20(25(24)26)22-16-15-19(17-27-22)18-9-4-3-5-10-18;1-28(2)24-14-7-6-12-22(24)27-23-13-8-11-20(25(23)28)21-17-19(15-16-26-21)18-9-4-3-5-10-18;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;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;;;/h2*3-10,12-17H,1-2H3;6,8-12H,1-5H3;3-6,8-9H,1-2H3;2-7,9H,1H3;1-6,8-9H;;;/q6*-1;;;/i;;5D3;;1D3;;;;.
What are the key properties of 2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine?
2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 2157.75 g/mol, XLogP of 26.01, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)-4-phenylpyridine;4,5-dimethyl-2-phenylpyridine;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;tris(iridium);2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 162097836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).