2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

C57H59FIrN2OSi-2 — CID 169038935

IUPAC2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
SMILESC[Si](C)(C)c1cnc(-c2[c-]ccc(F)c2)cc1CC1CCCCC1.Cc1cnc(-c2[c-]cc3oc4cc(-c5cccc(Cc6ccccc6)c5)ccc4c3c2)cc1CC(C)(C)C.[Ir]
InChIInChI=1S/C36H32NO.C21H27FNSi.Ir/c1-24-23-37-33(20-30(24)22-36(2,3)4)29-14-16-34-32(19-29)31-15-13-28(21-35(31)38-34)27-12-8-11-26(18-27)17-25-9-6-5-7-10-25;1-24(2,3)21-15-23-20(17-10-7-11-19(22)13-17)14-18(21)12-16-8-5-4-6-9-16;/h5-13,15-16,18-21,23H,17,22H2,1-4H3;7,11,13-16H,4-6,8-9,12H2,1-3H3;/q2*-1;
InChIKeyUVHXPHFPRIXHLW-UHFFFAOYSA-N
MW1027.41 g/mol
LogP14.96
Rot. Bonds9

About 2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium

2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 169038935) has the molecular formula C57H59FIrN2OSi-2 and a molecular weight of 1027.41 g/mol. Its IUPAC name is 2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

Compound Name2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
PubChem CID169038935
Molecular FormulaC57H59FIrN2OSi-2
Molecular Weight1027.41 g/mol
Exact Mass1027.40
IUPAC Name2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
SMILESC[Si](C)(C)c1cnc(-c2[c-]ccc(F)c2)cc1CC1CCCCC1.Cc1cnc(-c2[c-]cc3oc4cc(-c5cccc(Cc6ccccc6)c5)ccc4c3c2)cc1CC(C)(C)C.[Ir]
InChIInChI=1S/C36H32NO.C21H27FNSi.Ir/c1-24-23-37-33(20-30(24)22-36(2,3)4)29-14-16-34-32(19-29)31-15-13-28(21-35(31)38-34)27-12-8-11-26(18-27)17-25-9-6-5-7-10-25;1-24(2,3)21-15-23-20(17-10-7-11-19(22)13-17)14-18(21)12-16-8-5-4-6-9-16;/h5-13,15-16,18-21,23H,17,22H2,1-4H3;7,11,13-16H,4-6,8-9,12H2,1-3H3;/q2*-1;
InChIKeyUVHXPHFPRIXHLW-UHFFFAOYSA-N
XLogP14.96
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.41
LogP ≤ 514.96
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 2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium 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

[4-(cyclohexylmethyl)-6-(3-methyl-4-phenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 166575144
[4-(cyclopentylmethyl)-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-propan-2-ylpyridine;iridium
CID 169039046
3-(3-benzyl-4-methylbenzene-6-id-1-yl)-[1]benzofuro[2,3-c]pyridine;[4-(2,2-dimethylpropyl)-6-(2-fluoro-3-methylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 162710596
(4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium
CID 166577988
4-benzyl-2-(7-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;4-(cyclohexylmethyl)-5-methyl-2-phenylpyridine;iridium
CID 162709802
2-(8-benzyl-3H-dibenzofuran-3-id-2-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;[6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 169039156
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine
CID 166578833
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(cyclohexylmethyl)-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine
CID 166574647
4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164712406
4-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium
CID 169039237
6-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155612502
4-(cyclohexylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166577406

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?
The IUPAC name of 2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium (CID 169038935) is 2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium.
What is the SMILES notation for 2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?
The canonical SMILES for 2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is C[Si](C)(C)c1cnc(-c2[c-]ccc(F)c2)cc1CC1CCCCC1.Cc1cnc(-c2[c-]cc3oc4cc(-c5cccc(Cc6ccccc6)c5)ccc4c3c2)cc1CC(C)(C)C.[Ir].
What is the InChIKey of 2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?
The InChIKey is UVHXPHFPRIXHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32NO.C21H27FNSi.Ir/c1-24-23-37-33(20-30(24)22-36(2,3)4)29-14-16-34-32(19-29)31-15-13-28(21-35(31)38-34)27-12-8-11-26(18-27)17-25-9-6-5-7-10-25;1-24(2,3)21-15-23-20(17-10-7-11-19(22)13-17)14-18(21)12-16-8-5-4-6-9-16;/h5-13,15-16,18-21,23H,17,22H2,1-4H3;7,11,13-16H,4-6,8-9,12H2,1-3H3;/q2*-1;.
What are the key properties of 2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium?
2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1027.41 g/mol, XLogP of 14.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-benzylphenyl)-3H-dibenzofuran-3-id-2-yl]-4-(2,2-dimethylpropyl)-5-methylpyridine;[4-(cyclohexylmethyl)-6-(3-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 169038935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).