iridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane

C45H46IrN2OSi-2 — CID 166577122

IUPACiridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
SMILESCc1cc(C)c(-c2ccc3c(c2)oc2c(-c4cc(C(C)C)ccn4)[c-]ccc23)c(C)c1.Cc1ccc[c-]c1-c1cc(C)c([Si](C)(C)C)cn1.[Ir]
InChIInChI=1S/C29H26NO.C16H20NSi.Ir/c1-17(2)21-11-12-30-26(15-21)25-8-6-7-24-23-10-9-22(16-27(23)31-29(24)25)28-19(4)13-18(3)14-20(28)5;1-12-8-6-7-9-14(12)15-10-13(2)16(11-17-15)18(3,4)5;/h6-7,9-17H,1-5H3;6-8,10-11H,1-5H3;/q2*-1;
InChIKeyPOTCWYUJTSDWDQ-UHFFFAOYSA-N
MW851.18 g/mol
LogP11.87
Rot. Bonds5

About iridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane

iridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 166577122) has the molecular formula C45H46IrN2OSi-2 and a molecular weight of 851.18 g/mol. Its IUPAC name is iridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Nameiridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
PubChem CID166577122
Molecular FormulaC45H46IrN2OSi-2
Molecular Weight851.18 g/mol
Exact Mass851.30
IUPAC Nameiridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
SMILESCc1cc(C)c(-c2ccc3c(c2)oc2c(-c4cc(C(C)C)ccn4)[c-]ccc23)c(C)c1.Cc1ccc[c-]c1-c1cc(C)c([Si](C)(C)C)cn1.[Ir]
InChIInChI=1S/C29H26NO.C16H20NSi.Ir/c1-17(2)21-11-12-30-26(15-21)25-8-6-7-24-23-10-9-22(16-27(23)31-29(24)25)28-19(4)13-18(3)14-20(28)5;1-12-8-6-7-9-14(12)15-10-13(2)16(11-17-15)18(3,4)5;/h6-7,9-17H,1-5H3;6-8,10-11H,1-5H3;/q2*-1;
InChIKeyPOTCWYUJTSDWDQ-UHFFFAOYSA-N
XLogP11.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.18
LogP ≤ 511.87
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

4-(2-deuteriopropan-2-yl)-2-[7-(2,6-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 166575600
2-[7-(3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-pentan-3-ylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166575619
[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
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium
CID 169038585
4-(cyclohexylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166573573
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
2-[7-(4-tert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-propan-2-ylpyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575719
iridium;trimethyl-[6-(4-methylbenzene-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 166576060
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(1-phenylethyl)pyridine
CID 166576755
[4-[3-fluoro-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-4-yl]phenyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164832358
2-[7-(3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-pentan-3-ylpyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166575248
4-(2-deuteriopropan-2-yl)-2-[7-(2,6-dimethylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 165170813

Frequently Asked Questions

What is the IUPAC name of iridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The IUPAC name of iridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 166577122) is iridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane.
What is the SMILES notation for iridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The canonical SMILES for iridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane is Cc1cc(C)c(-c2ccc3c(c2)oc2c(-c4cc(C(C)C)ccn4)[c-]ccc23)c(C)c1.Cc1ccc[c-]c1-c1cc(C)c([Si](C)(C)C)cn1.[Ir].
What is the InChIKey of iridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The InChIKey is POTCWYUJTSDWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26NO.C16H20NSi.Ir/c1-17(2)21-11-12-30-26(15-21)25-8-6-7-24-23-10-9-22(16-27(23)31-29(24)25)28-19(4)13-18(3)14-20(28)5;1-12-8-6-7-9-14(12)15-10-13(2)16(11-17-15)18(3,4)5;/h6-7,9-17H,1-5H3;6-8,10-11H,1-5H3;/q2*-1;.
What are the key properties of iridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane?
iridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 851.18 g/mol, XLogP of 11.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-propan-2-yl-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;trimethyl-[4-methyl-6-(2-methylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 166577122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).