4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium

C61H62IrN2O2Si-2 — CID 169039100

IUPAC4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium
SMILESC[Si](C)(C)c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1CC1CCCCC1.Cc1cc2c(oc3c[c-]c(-c4cc(CC5CC6CCC5CC6)ccn4)cc32)c(C)c1-c1ccccc1.[Ir]
InChIInChI=1S/C34H32NO.C27H30NOSi.Ir/c1-21-16-30-29-20-27(12-13-32(29)36-34(30)22(2)33(21)26-6-4-3-5-7-26)31-19-24(14-15-35-31)18-28-17-23-8-10-25(28)11-9-23;1-30(2,3)26-18-28-24(17-20(26)16-19-10-5-4-6-11-19)23-14-9-13-22-21-12-7-8-15-25(21)29-27(22)23;/h3-7,13-16,19-20,23,25,28H,8-11,17-18H2,1-2H3;7-9,12-13,15,17-19H,4-6,10-11,16H2,1-3H3;/q2*-1;
InChIKeyUMWFZOWFPAPNMH-UHFFFAOYSA-N
MW1075.48 g/mol
LogP16.21
Rot. Bonds8

About 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium

4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 169039100) has the molecular formula C61H62IrN2O2Si-2 and a molecular weight of 1075.48 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium
PubChem CID169039100
Molecular FormulaC61H62IrN2O2Si-2
Molecular Weight1075.48 g/mol
Exact Mass1075.42
IUPAC Name4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium
SMILESC[Si](C)(C)c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1CC1CCCCC1.Cc1cc2c(oc3c[c-]c(-c4cc(CC5CC6CCC5CC6)ccn4)cc32)c(C)c1-c1ccccc1.[Ir]
InChIInChI=1S/C34H32NO.C27H30NOSi.Ir/c1-21-16-30-29-20-27(12-13-32(29)36-34(30)22(2)33(21)26-6-4-3-5-7-26)31-19-24(14-15-35-31)18-28-17-23-8-10-25(28)11-9-23;1-30(2,3)26-18-28-24(17-20(26)16-19-10-5-4-6-11-19)23-14-9-13-22-21-12-7-8-15-25(21)29-27(22)23;/h3-7,13-16,19-20,23,25,28H,8-11,17-18H2,1-2H3;7-9,12-13,15,17-19H,4-6,10-11,16H2,1-3H3;/q2*-1;
InChIKeyUMWFZOWFPAPNMH-UHFFFAOYSA-N
XLogP16.21
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.48
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;iridium
CID 166575401
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166574555
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166578322
[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-(cyclohexylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166577406
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(1-fluoro-8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;iridium
CID 171435830
4-(2-bicyclo[2.2.2]octanylmethyl)-2-[7-(3,4-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166577702
4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1-deuteriocyclopentyl)-6-(3,4-diphenylbenzene-6-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium
CID 166574963
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
4-(2-bicyclo[2.2.2]octanylmethyl)-2-[7-(3,5-difluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166573476
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577524
4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(dideuteriomethyl)-3-phenylbenzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 171436033

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium?
The IUPAC name of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium (CID 169039100) is 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium.
What is the SMILES notation for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium?
The canonical SMILES for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium is C[Si](C)(C)c1cnc(-c2[c-]ccc3c2oc2ccccc23)cc1CC1CCCCC1.Cc1cc2c(oc3c[c-]c(-c4cc(CC5CC6CCC5CC6)ccn4)cc32)c(C)c1-c1ccccc1.[Ir].
What is the InChIKey of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium?
The InChIKey is UMWFZOWFPAPNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32NO.C27H30NOSi.Ir/c1-21-16-30-29-20-27(12-13-32(29)36-34(30)22(2)33(21)26-6-4-3-5-7-26)31-19-24(14-15-35-31)18-28-17-23-8-10-25(28)11-9-23;1-30(2,3)26-18-28-24(17-20(26)16-19-10-5-4-6-11-19)23-14-9-13-22-21-12-7-8-15-25(21)29-27(22)23;/h3-7,13-16,19-20,23,25,28H,8-11,17-18H2,1-2H3;7-9,12-13,15,17-19H,4-6,10-11,16H2,1-3H3;/q2*-1;.
What are the key properties of 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium?
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1075.48 g/mol, XLogP of 16.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.2]octanylmethyl)-2-(6,8-dimethyl-7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;[4-(cyclohexylmethyl)-6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 169039100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).