iridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane

C47H42IrN2OSi-2 — CID 169039318

IUPACiridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
SMILESCC(C)c1ccnc(-c2[c-]cc(-c3ccc(-c4ccccc4)cc3)c3c2oc2ccccc23)c1.Cc1ccc[c-]c1-c1ccc([Si](C)(C)C)cn1.[Ir]
InChIInChI=1S/C32H24NO.C15H18NSi.Ir/c1-21(2)25-18-19-33-29(20-25)27-17-16-26(31-28-10-6-7-11-30(28)34-32(27)31)24-14-12-23(13-15-24)22-8-4-3-5-9-22;1-12-7-5-6-8-14(12)15-10-9-13(11-16-15)17(2,3)4;/h3-16,18-21H,1-2H3;5-7,9-11H,1-4H3;/q2*-1;
InChIKeyQOCOIHJKBOTXSL-UHFFFAOYSA-N
MW871.17 g/mol
LogP12.31
Rot. Bonds6

About iridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane

iridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 169039318) has the molecular formula C47H42IrN2OSi-2 and a molecular weight of 871.17 g/mol. Its IUPAC name is iridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Nameiridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
PubChem CID169039318
Molecular FormulaC47H42IrN2OSi-2
Molecular Weight871.17 g/mol
Exact Mass871.27
IUPAC Nameiridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
SMILESCC(C)c1ccnc(-c2[c-]cc(-c3ccc(-c4ccccc4)cc3)c3c2oc2ccccc23)c1.Cc1ccc[c-]c1-c1ccc([Si](C)(C)C)cn1.[Ir]
InChIInChI=1S/C32H24NO.C15H18NSi.Ir/c1-21(2)25-18-19-33-29(20-25)27-17-16-26(31-28-10-6-7-11-30(28)34-32(27)31)24-14-12-23(13-15-24)22-8-4-3-5-9-22;1-12-7-5-6-8-14(12)15-10-9-13(11-16-15)17(2,3)4;/h3-16,18-21H,1-2H3;5-7,9-11H,1-4H3;/q2*-1;
InChIKeyQOCOIHJKBOTXSL-UHFFFAOYSA-N
XLogP12.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.17
LogP ≤ 512.31
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'}

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Related Compounds

CID 169291860
CID 169291860
iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578500
iridium;4-phenyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166576193
iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 171435976
4-(cyclohexylmethyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578804
iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166577541
4-(2-deuteriopropan-2-yl)-2-[8-(3-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575190
iridium;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane
CID 166574461
iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574508
iridium;5-methyl-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156657833
iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166577515
iridium;2-[8-phenyl-6-(trideuteriomethyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577198

Frequently Asked Questions

What is the IUPAC name of iridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The IUPAC name of iridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 169039318) is iridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane.
What is the SMILES notation for iridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The canonical SMILES for iridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane is CC(C)c1ccnc(-c2[c-]cc(-c3ccc(-c4ccccc4)cc3)c3c2oc2ccccc23)c1.Cc1ccc[c-]c1-c1ccc([Si](C)(C)C)cn1.[Ir].
What is the InChIKey of iridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The InChIKey is QOCOIHJKBOTXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24NO.C15H18NSi.Ir/c1-21(2)25-18-19-33-29(20-25)27-17-16-26(31-28-10-6-7-11-30(28)34-32(27)31)24-14-12-23(13-15-24)22-8-4-3-5-9-22;1-12-7-5-6-8-14(12)15-10-9-13(11-16-15)17(2,3)4;/h3-16,18-21H,1-2H3;5-7,9-11H,1-4H3;/q2*-1;.
What are the key properties of iridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?
iridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 871.17 g/mol, XLogP of 12.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[1-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-[6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 169039318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).