2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium)

C101H116Ir5N5O10-5 — CID 159285722

IUPAC2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium)
SMILESCC(C)(C)Oc1c[c-]c(-c2ccccn2)c(OC(C)(C)C)c1.CC(C)Oc1c[c-]c(-c2ccccn2)c(OC(C)C)c1.CCCCCCCCOc1c[c-]c(-c2ccccn2)c(OCCCCCCCC)c1.CCOc1c[c-]c(-c2ccccn2)c(OCC)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(Oc2ccccc2)cc(Oc2ccccc2)c1-c1ccccn1
InChIInChI=1S/C27H40NO2.C23H16NO2.C19H24NO2.C17H20NO2.C15H16NO2.5Ir/c1-3-5-7-9-11-15-21-29-24-18-19-25(26-17-13-14-20-28-26)27(23-24)30-22-16-12-10-8-6-4-2;1-3-9-18(10-4-1)25-20-14-15-21(22-13-7-8-16-24-22)23(17-20)26-19-11-5-2-6-12-19;1-18(2,3)21-14-10-11-15(16-9-7-8-12-20-16)17(13-14)22-19(4,5)6;1-12(2)19-14-8-9-15(16-7-5-6-10-18-16)17(11-14)20-13(3)4;1-3-17-12-8-9-13(15(11-12)18-4-2)14-7-5-6-10-16-14;;;;;/h13-14,17-18,20,23H,3-12,15-16,21-22H2,1-2H3;1-14,16-17H;7-10,12-13H,1-6H3;5-8,10-13H,1-4H3;5-8,10-11H,3-4H2,1-2H3;;;;;/q5*-1;;;;;
InChIKeyOMGRQBNJMIFTON-UHFFFAOYSA-N
MW2521.15 g/mol
LogP26.52
Rot. Bonds35

About 2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium)

2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium) (PubChem CID 159285722) has the molecular formula C101H116Ir5N5O10-5 and a molecular weight of 2521.15 g/mol. Its IUPAC name is 2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium).

Molecular Properties

Compound Name2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium)
PubChem CID159285722
Molecular FormulaC101H116Ir5N5O10-5
Molecular Weight2521.15 g/mol
Exact Mass2523.69
IUPAC Name2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium)
SMILESCC(C)(C)Oc1c[c-]c(-c2ccccn2)c(OC(C)(C)C)c1.CC(C)Oc1c[c-]c(-c2ccccn2)c(OC(C)C)c1.CCCCCCCCOc1c[c-]c(-c2ccccn2)c(OCCCCCCCC)c1.CCOc1c[c-]c(-c2ccccn2)c(OCC)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(Oc2ccccc2)cc(Oc2ccccc2)c1-c1ccccn1
InChIInChI=1S/C27H40NO2.C23H16NO2.C19H24NO2.C17H20NO2.C15H16NO2.5Ir/c1-3-5-7-9-11-15-21-29-24-18-19-25(26-17-13-14-20-28-26)27(23-24)30-22-16-12-10-8-6-4-2;1-3-9-18(10-4-1)25-20-14-15-21(22-13-7-8-16-24-22)23(17-20)26-19-11-5-2-6-12-19;1-18(2,3)21-14-10-11-15(16-9-7-8-12-20-16)17(13-14)22-19(4,5)6;1-12(2)19-14-8-9-15(16-7-5-6-10-18-16)17(11-14)20-13(3)4;1-3-17-12-8-9-13(15(11-12)18-4-2)14-7-5-6-10-16-14;;;;;/h13-14,17-18,20,23H,3-12,15-16,21-22H2,1-2H3;1-14,16-17H;7-10,12-13H,1-6H3;5-8,10-13H,1-4H3;5-8,10-11H,3-4H2,1-2H3;;;;;/q5*-1;;;;;
InChIKeyOMGRQBNJMIFTON-UHFFFAOYSA-N
XLogP26.52
TPSA156.75 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds35
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002521.15
LogP ≤ 526.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium) with MolForge

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Related Compounds

2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]-4-methylpyridine;2-(2,4-diethoxybenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)-4-methylpyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]-4-methylpyridine;platinum
CID 159099819
2-(2-ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;tetrakis(platinum(2+));2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-[[3-(trifluoromethyl)pyrazol-1-id-5-yl]methyl]pyridine)
CID 161072927
ethene;nonoxybenzene;phenoxybenzene
CID 174749747
1-ethoxy-3-hexoxy-2-phenylbenzene
CID 141138385
pentoxybenzene;undecane
CID 174778179
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-4-propan-2-yloxypyridine
CID 158767696
N-[(4-hexoxyphenyl)methyl]-4-phenoxyaniline
CID 54796706
4-(4-octadecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 101424880
4-(4-dodecoxyphenyl)-2,6-dipyridin-2-ylpyridine
CID 15434011
N-(3-hexoxyphenyl)-N'-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808523
4-[4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,5-dihexadecoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 177491486
phenoxybenzene;2-pyridin-2-ylpyridine
CID 174917355

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium)?
The IUPAC name of 2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium) (CID 159285722) is 2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium).
What is the SMILES notation for 2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium)?
The canonical SMILES for 2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium) is CC(C)(C)Oc1c[c-]c(-c2ccccn2)c(OC(C)(C)C)c1.CC(C)Oc1c[c-]c(-c2ccccn2)c(OC(C)C)c1.CCCCCCCCOc1c[c-]c(-c2ccccn2)c(OCCCCCCCC)c1.CCOc1c[c-]c(-c2ccccn2)c(OCC)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(Oc2ccccc2)cc(Oc2ccccc2)c1-c1ccccn1.
What is the InChIKey of 2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium)?
The InChIKey is OMGRQBNJMIFTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40NO2.C23H16NO2.C19H24NO2.C17H20NO2.C15H16NO2.5Ir/c1-3-5-7-9-11-15-21-29-24-18-19-25(26-17-13-14-20-28-26)27(23-24)30-22-16-12-10-8-6-4-2;1-3-9-18(10-4-1)25-20-14-15-21(22-13-7-8-16-24-22)23(17-20)26-19-11-5-2-6-12-19;1-18(2,3)21-14-10-11-15(16-9-7-8-12-20-16)17(13-14)22-19(4,5)6;1-12(2)19-14-8-9-15(16-7-5-6-10-18-16)17(11-14)20-13(3)4;1-3-17-12-8-9-13(15(11-12)18-4-2)14-7-5-6-10-16-14;;;;;/h13-14,17-18,20,23H,3-12,15-16,21-22H2,1-2H3;1-14,16-17H;7-10,12-13H,1-6H3;5-8,10-13H,1-4H3;5-8,10-11H,3-4H2,1-2H3;;;;;/q5*-1;;;;;.
What are the key properties of 2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium)?
2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium) has a molecular weight of 2521.15 g/mol, XLogP of 26.52, 35 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis[(2-methylpropan-2-yl)oxy]benzene-6-id-1-yl]pyridine;2-(2,4-diethoxybenzene-6-id-1-yl)pyridine;2-(2,4-dioctoxybenzene-6-id-1-yl)pyridine;2-(2,4-diphenoxybenzene-6-id-1-yl)pyridine;2-[2,4-di(propan-2-yloxy)benzene-6-id-1-yl]pyridine;pentakis(iridium) is sourced from PubChem (CID 159285722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).