4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

C63H69IrN3OSi — CID 169039257

IUPAC4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
SMILESCC(C)c1cc(-c2ccccc2)ncc1[Si](C)(C)C.CCc1ccnc(-c2ccccc2)c1.Cc1cccc(C)c1-c1ccc2c(c1)oc1c(-c3cc(C(C)(C)C4CCCC4)ccn3)cccc12.[Ir]
InChIInChI=1S/C33H33NO.C17H23NSi.C13H13N.Ir/c1-21-9-7-10-22(2)31(21)23-15-16-26-27-13-8-14-28(32(27)35-30(26)19-23)29-20-25(17-18-34-29)33(3,4)24-11-5-6-12-24;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;1-2-11-8-9-14-13(10-11)12-6-4-3-5-7-12;/h7-10,13-20,24H,5-6,11-12H2,1-4H3;6-13H,1-5H3;3-10H,2H2,1H3;
InChIKeyXBJHGLTZAACASD-UHFFFAOYSA-N
MW1104.57 g/mol
LogP17.13
Rot. Bonds9

About 4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane

4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (PubChem CID 169039257) has the molecular formula C63H69IrN3OSi and a molecular weight of 1104.57 g/mol. Its IUPAC name is 4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.

Molecular Properties

Compound Name4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
PubChem CID169039257
Molecular FormulaC63H69IrN3OSi
Molecular Weight1104.57 g/mol
Exact Mass1104.48
IUPAC Name4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
SMILESCC(C)c1cc(-c2ccccc2)ncc1[Si](C)(C)C.CCc1ccnc(-c2ccccc2)c1.Cc1cccc(C)c1-c1ccc2c(c1)oc1c(-c3cc(C(C)(C)C4CCCC4)ccn3)cccc12.[Ir]
InChIInChI=1S/C33H33NO.C17H23NSi.C13H13N.Ir/c1-21-9-7-10-22(2)31(21)23-15-16-26-27-13-8-14-28(32(27)35-30(26)19-23)29-20-25(17-18-34-29)33(3,4)24-11-5-6-12-24;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;1-2-11-8-9-14-13(10-11)12-6-4-3-5-7-12;/h7-10,13-20,24H,5-6,11-12H2,1-4H3;6-13H,1-5H3;3-10H,2H2,1H3;
InChIKeyXBJHGLTZAACASD-UHFFFAOYSA-N
XLogP17.13
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001104.57
LogP ≤ 517.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane with MolForge

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Related Compounds

4-(cyclohexylmethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-4-yl]pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039109
4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
CID 166576131
4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039063
4-tert-butyl-2-(7,9-diphenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169039375
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 162707718
2-[6-(2,6-dimethylphenyl)dibenzofuran-3-yl]-4-(2-methylpropyl)pyridine
CID 166573874
4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine
CID 169038906
5-methyl-2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-propan-2-ylpyridine
CID 166573825
4-(cyclopentylmethyl)-2-[7-(2-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166577921
2-[7-(4-methylphenyl)dibenzofuran-4-yl]-4-(3-phenylpentan-3-yl)pyridine
CID 162708104
4-[cyclohexyl(dideuterio)methyl]-2-(7-phenyldibenzofuran-4-yl)pyridine
CID 155611017
4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
CID 166574332

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The IUPAC name of 4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane (CID 169039257) is 4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane.
What is the SMILES notation for 4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The canonical SMILES for 4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is CC(C)c1cc(-c2ccccc2)ncc1[Si](C)(C)C.CCc1ccnc(-c2ccccc2)c1.Cc1cccc(C)c1-c1ccc2c(c1)oc1c(-c3cc(C(C)(C)C4CCCC4)ccn3)cccc12.[Ir].
What is the InChIKey of 4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
The InChIKey is XBJHGLTZAACASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33NO.C17H23NSi.C13H13N.Ir/c1-21-9-7-10-22(2)31(21)23-15-16-26-27-13-8-14-28(32(27)35-30(26)19-23)29-20-25(17-18-34-29)33(3,4)24-11-5-6-12-24;1-13(2)15-11-16(14-9-7-6-8-10-14)18-12-17(15)19(3,4)5;1-2-11-8-9-14-13(10-11)12-6-4-3-5-7-12;/h7-10,13-20,24H,5-6,11-12H2,1-4H3;6-13H,1-5H3;3-10H,2H2,1H3;.
What are the key properties of 4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane?
4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane has a molecular weight of 1104.57 g/mol, XLogP of 17.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane is sourced from PubChem (CID 169039257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).