[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane

C82H78Ir2N6Si2-4 — CID 158782772

IUPAC[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)ncc1[Si](C)(C)C.CCn1c2c[c-]c(-c3cc(-c4ccccc4)c([Si](C)(C)C)cn3)cc2c2ccccc21.Cc1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir]
InChIInChI=1S/C30H31N2Si.C28H27N2Si.2C12H10N.2Ir/c1-21(2)17-23-19-27(31-20-30(23)33(3,4)5)22-15-16-29-26(18-22)25-13-9-10-14-28(25)32(29)24-11-7-6-8-12-24;1-5-30-26-14-10-9-13-22(26)24-17-21(15-16-27(24)30)25-18-23(20-11-7-6-8-12-20)28(19-29-25)31(2,3)4;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;/h6-14,16,18-21H,17H2,1-5H3;6-14,16-19H,5H2,1-4H3;2*2-7,9H,1H3;;/q4*-1;;/i;;1D3;;;
InChIKeyPORXUVIKCUCSOD-IDGSXTKZSA-N
MW1591.19 g/mol
LogP19.99
Rot. Bonds12

About [6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane

[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane (PubChem CID 158782772) has the molecular formula C82H78Ir2N6Si2-4 and a molecular weight of 1591.19 g/mol. Its IUPAC name is [6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Name[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane
PubChem CID158782772
Molecular FormulaC82H78Ir2N6Si2-4
Molecular Weight1591.19 g/mol
Exact Mass1591.53
IUPAC Name[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane
SMILESCC(C)Cc1cc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)ncc1[Si](C)(C)C.CCn1c2c[c-]c(-c3cc(-c4ccccc4)c([Si](C)(C)C)cn3)cc2c2ccccc21.Cc1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir]
InChIInChI=1S/C30H31N2Si.C28H27N2Si.2C12H10N.2Ir/c1-21(2)17-23-19-27(31-20-30(23)33(3,4)5)22-15-16-29-26(18-22)25-13-9-10-14-28(25)32(29)24-11-7-6-8-12-24;1-5-30-26-14-10-9-13-22(26)24-17-21(15-16-27(24)30)25-18-23(20-11-7-6-8-12-20)28(19-29-25)31(2,3)4;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;/h6-14,16,18-21H,17H2,1-5H3;6-14,16-19H,5H2,1-4H3;2*2-7,9H,1H3;;/q4*-1;;/i;;1D3;;;
InChIKeyPORXUVIKCUCSOD-IDGSXTKZSA-N
XLogP19.99
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms92
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001591.19
LogP ≤ 519.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane?
The IUPAC name of [6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane (CID 158782772) is [6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane.
What is the SMILES notation for [6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane?
The canonical SMILES for [6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane is CC(C)Cc1cc(-c2[c-]cc3c(c2)c2ccccc2n3-c2ccccc2)ncc1[Si](C)(C)C.CCn1c2c[c-]c(-c3cc(-c4ccccc4)c([Si](C)(C)C)cn3)cc2c2ccccc21.Cc1cccc(-c2[c-]cccc2)n1.[2H]C([2H])([2H])c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].
What is the InChIKey of [6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane?
The InChIKey is PORXUVIKCUCSOD-IDGSXTKZSA-N. The full InChI is InChI=1S/C30H31N2Si.C28H27N2Si.2C12H10N.2Ir/c1-21(2)17-23-19-27(31-20-30(23)33(3,4)5)22-15-16-29-26(18-22)25-13-9-10-14-28(25)32(29)24-11-7-6-8-12-24;1-5-30-26-14-10-9-13-22(26)24-17-21(15-16-27(24)30)25-18-23(20-11-7-6-8-12-20)28(19-29-25)31(2,3)4;2*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;/h6-14,16,18-21H,17H2,1-5H3;6-14,16-19H,5H2,1-4H3;2*2-7,9H,1H3;;/q4*-1;;/i;;1D3;;;.
What are the key properties of [6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane?
[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane has a molecular weight of 1591.19 g/mol, XLogP of 19.99, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane is sourced from PubChem (CID 158782772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).