iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane

C55H47IrN3OSi — CID 169038594

IUPACiridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccc3c(c2)oc2c(-c4cc(-c5ccccc5)ccn4)cccc23)cc1.[Ir].c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C30H21NO.C14H17NSi.C11H9N.Ir/c1-20-10-12-22(13-11-20)23-14-15-25-26-8-5-9-27(30(26)32-29(25)19-23)28-18-24(16-17-31-28)21-6-3-2-4-7-21;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-19H,1H3;4-11H,1-3H3;1-9H;
InChIKeyOFTVFDLKXRUTDO-UHFFFAOYSA-N
MW986.30 g/mol
LogP14.33
Rot. Bonds6

About iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane

iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (PubChem CID 169038594) has the molecular formula C55H47IrN3OSi and a molecular weight of 986.30 g/mol. Its IUPAC name is iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.

Molecular Properties

Compound Nameiridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
PubChem CID169038594
Molecular FormulaC55H47IrN3OSi
Molecular Weight986.30 g/mol
Exact Mass986.31
IUPAC Nameiridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
SMILESC[Si](C)(C)c1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccc3c(c2)oc2c(-c4cc(-c5ccccc5)ccn4)cccc23)cc1.[Ir].c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C30H21NO.C14H17NSi.C11H9N.Ir/c1-20-10-12-22(13-11-20)23-14-15-25-26-8-5-9-27(30(26)32-29(25)19-23)28-18-24(16-17-31-28)21-6-3-2-4-7-21;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-19H,1H3;4-11H,1-3H3;1-9H;
InChIKeyOFTVFDLKXRUTDO-UHFFFAOYSA-N
XLogP14.33
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.30
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
2-(7-phenyldibenzofuran-4-yl)-4-(trideuteriomethyl)pyridine
CID 166573759
2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine
CID 162708104
5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166573825
4-(2-deuteriopropan-2-yl)-2-[7-[4-(trideuteriomethyl)phenyl]dibenzofuran-4-yl]pyridine
CID 166573548
2-(6-methyldibenzofuran-4-yl)-4-phenylpyridine
CID 140775821
iridium;2-(7-naphthalen-1-yl-3H-dibenzofuran-3-id-2-yl)-4-phenylpyridine;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 169038570
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
4-(4-tert-butylphenyl)-2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)pyridine
CID 166043906
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155377270
2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine
CID 153458075
trimethyl-[4-[3-(4-pyridin-2-ylphenyl)phenyl]phenyl]silane
CID 171056391

Frequently Asked Questions

What is the IUPAC name of iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The IUPAC name of iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane (CID 169038594) is iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane.
What is the SMILES notation for iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The canonical SMILES for iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is C[Si](C)(C)c1ccc(-c2ccccc2)nc1.Cc1ccc(-c2ccc3c(c2)oc2c(-c4cc(-c5ccccc5)ccn4)cccc23)cc1.[Ir].c1ccc(-c2ccccn2)cc1.
What is the InChIKey of iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
The InChIKey is OFTVFDLKXRUTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO.C14H17NSi.C11H9N.Ir/c1-20-10-12-22(13-11-20)23-14-15-25-26-8-5-9-27(30(26)32-29(25)19-23)28-18-24(16-17-31-28)21-6-3-2-4-7-21;1-16(2,3)13-9-10-14(15-11-13)12-7-5-4-6-8-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-19H,1H3;4-11H,1-3H3;1-9H;.
What are the key properties of iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane?
iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane has a molecular weight of 986.30 g/mol, XLogP of 14.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-phenylpyridine;2-phenylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane is sourced from PubChem (CID 169038594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).