[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine

C41H39IrN3Si-2 — CID 164706399

IUPAC[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine
SMILESCC(C)Cc1cc(-c2[c-]cc(-n3c4ccccc4c4ccccc43)cc2)ncc1[Si](C)(C)C.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C30H31N2Si.C11H8N.Ir/c1-21(2)18-23-19-27(31-20-30(23)33(3,4)5)22-14-16-24(17-15-22)32-28-12-8-6-10-25(28)26-11-7-9-13-29(26)32;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h6-14,16-17,19-21H,18H2,1-5H3;1-6,8-9H;/q2*-1;
InChIKeyFWKJRCCPKBJMEU-UHFFFAOYSA-N
MW794.09 g/mol
LogP9.94
Rot. Bonds6

About [6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine

[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine (PubChem CID 164706399) has the molecular formula C41H39IrN3Si-2 and a molecular weight of 794.09 g/mol. Its IUPAC name is [6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine.

Molecular Properties

Compound Name[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine
PubChem CID164706399
Molecular FormulaC41H39IrN3Si-2
Molecular Weight794.09 g/mol
Exact Mass794.26
IUPAC Name[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine
SMILESCC(C)Cc1cc(-c2[c-]cc(-n3c4ccccc4c4ccccc43)cc2)ncc1[Si](C)(C)C.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C30H31N2Si.C11H8N.Ir/c1-21(2)18-23-19-27(31-20-30(23)33(3,4)5)22-14-16-24(17-15-22)32-28-12-8-6-10-25(28)26-11-7-9-13-29(26)32;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h6-14,16-17,19-21H,18H2,1-5H3;1-6,8-9H;/q2*-1;
InChIKeyFWKJRCCPKBJMEU-UHFFFAOYSA-N
XLogP9.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.09
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(2H-dibenzofuran-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(2H-dibenzothiophen-2-id-3-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-3H-carbazol-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-3H-carbazol-3-id-2-yl)-3-pyridinyl]silane
CID 157346467
iridium;1-phenyl-2-(3H-triphenylen-3-id-2-yl)benzimidazole;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 164750058
iridium;2-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 162707114
[4-butan-2-yl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;[4-ethyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);tetrakis(2-phenylpyridine);trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
CID 159576212
[4-butan-2-yl-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(2-phenylpyridine);bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine);trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]silane;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 161118650
[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
iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-(3-phenyl-[1]benzofuro[3,2-c]pyridin-6-yl)silane
CID 166018685
iridium;2-(4-methylbenzene-6-id-1-yl)-4-(2-phenylpropan-2-yl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 162709019
ethanol;iridium;iridium(3+);methanol;2-phenylpyridine;2-phenylpyridine;trifluoromethanesulfonic acid;tetrakis(trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane)
CID 160553408
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611
[6-(3-carbazol-9-ylphenyl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 139035258
iridium;2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155610911

Frequently Asked Questions

What is the IUPAC name of [6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine?
The IUPAC name of [6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine (CID 164706399) is [6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine.
What is the SMILES notation for [6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine?
The canonical SMILES for [6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine is CC(C)Cc1cc(-c2[c-]cc(-n3c4ccccc4c4ccccc43)cc2)ncc1[Si](C)(C)C.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of [6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine?
The InChIKey is FWKJRCCPKBJMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N2Si.C11H8N.Ir/c1-21(2)18-23-19-27(31-20-30(23)33(3,4)5)22-14-16-24(17-15-22)32-28-12-8-6-10-25(28)26-11-7-9-13-29(26)32;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h6-14,16-17,19-21H,18H2,1-5H3;1-6,8-9H;/q2*-1;.
What are the key properties of [6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine?
[6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine has a molecular weight of 794.09 g/mol, XLogP of 9.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-carbazol-9-ylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium;2-phenylpyridine is sourced from PubChem (CID 164706399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).