2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine

C76H80Ir4N4O12-4 — CID 159343182

IUPAC2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)Oc1ccc[c-]c1-c1ccccn1.CCOc1ccc[c-]c1-c1ccccn1.COc1ccc[c-]c1-c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1cccc(Oc2ccccc2)c1-c1ccccn1
InChIInChI=1S/C17H12NO.C14H14NO.C13H12NO.C12H10NO.4C5H8O2.4Ir/c1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18-16;1-11(2)16-14-9-4-3-7-12(14)13-8-5-6-10-15-13;1-2-15-13-9-4-3-7-11(13)12-8-5-6-10-14-12;1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11;4*1-4(6)3-5(2)7;;;;/h1-9,11-13H;3-6,8-11H,1-2H3;3-6,8-10H,2H2,1H3;2-5,7-9H,1H3;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyCYOYJERESZMPMM-UHFFFAOYSA-N
MW2010.36 g/mol
LogP17.32
Rot. Bonds15

About 2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine

2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine (PubChem CID 159343182) has the molecular formula C76H80Ir4N4O12-4 and a molecular weight of 2010.36 g/mol. Its IUPAC name is 2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine.

Molecular Properties

Compound Name2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine
PubChem CID159343182
Molecular FormulaC76H80Ir4N4O12-4
Molecular Weight2010.36 g/mol
Exact Mass2012.43
IUPAC Name2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)Oc1ccc[c-]c1-c1ccccn1.CCOc1ccc[c-]c1-c1ccccn1.COc1ccc[c-]c1-c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1cccc(Oc2ccccc2)c1-c1ccccn1
InChIInChI=1S/C17H12NO.C14H14NO.C13H12NO.C12H10NO.4C5H8O2.4Ir/c1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18-16;1-11(2)16-14-9-4-3-7-12(14)13-8-5-6-10-15-13;1-2-15-13-9-4-3-7-11(13)12-8-5-6-10-14-12;1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11;4*1-4(6)3-5(2)7;;;;/h1-9,11-13H;3-6,8-11H,1-2H3;3-6,8-10H,2H2,1H3;2-5,7-9H,1H3;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyCYOYJERESZMPMM-UHFFFAOYSA-N
XLogP17.32
TPSA237.68 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002010.36
LogP ≤ 517.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine with MolForge

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Related Compounds

Tris(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methoxypyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-propan-2-yloxypyridine;2-(2-fluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine;pentakis(4-hydroxypent-3-en-2-one);4-methoxy-2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine;platinum;platinum(2+)
CID 157851853
tetrakis((NE,1Z)-4-decoxy-N-(pyridin-2-ylmethylidene)benzenecarbohydrazonate);bis(iron(2+))
CID 139125815
(Z)-4-hydroxypent-3-en-2-one;iridium;bis(2-(4-phenoxybenzene-6-id-1-yl)pyridine)
CID 139253824
Iridium(3+);tris(2-(3-phenoxybenzene-6-id-1-yl)pyridine)
CID 59346139
2-(2,4-diphenoxybenzene-6-id-1-yl)-4-phenoxypyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59661694
3-Hydroxy-2-methylpyran-4-one;4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine;ruthenium
CID 155727857
Bis(2-(2-ethoxybenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);tris(iridium);bis(2-(2-methoxybenzene-6-id-1-yl)pyridine);bis(2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine)
CID 157071022
2-(2-Ethoxybenzene-6-id-1-yl)pyridine;2-(2-methoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(1+));2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine;tetrakis(2-pyridin-2-ylacetic acid)
CID 157191059
CID 157267941
CID 157267941
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methoxypyridine);bis(2-(4-fluorobenzene-6-id-1-yl)pyridine);bis(4-hydroxypent-3-en-2-one);pentakis(iridium)
CID 157319016
Acetic acid;methane;palladium;palladium(2+);2-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyridine;2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine
CID 157368741
4-Methoxy-2-(3-methyl-2-octoxybenzene-6-id-1-yl)pyridine;4-methoxy-2-(2-octoxybenzene-6-id-1-yl)pyridine;3-methyl-2-(3-methyl-2-octoxybenzene-6-id-1-yl)pyridine;3-methyl-2-(2-octoxybenzene-6-id-1-yl)pyridine;tetrakis(osmium(1+))
CID 157456131

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine?
The IUPAC name of 2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine (CID 159343182) is 2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine.
What is the SMILES notation for 2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine?
The canonical SMILES for 2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)Oc1ccc[c-]c1-c1ccccn1.CCOc1ccc[c-]c1-c1ccccn1.COc1ccc[c-]c1-c1ccccn1.[Ir].[Ir].[Ir].[Ir].[c-]1cccc(Oc2ccccc2)c1-c1ccccn1.
What is the InChIKey of 2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine?
The InChIKey is CYOYJERESZMPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12NO.C14H14NO.C13H12NO.C12H10NO.4C5H8O2.4Ir/c1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18-16;1-11(2)16-14-9-4-3-7-12(14)13-8-5-6-10-15-13;1-2-15-13-9-4-3-7-11(13)12-8-5-6-10-14-12;1-14-12-8-3-2-6-10(12)11-7-4-5-9-13-11;4*1-4(6)3-5(2)7;;;;/h1-9,11-13H;3-6,8-11H,1-2H3;3-6,8-10H,2H2,1H3;2-5,7-9H,1H3;4*3,6H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine?
2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine has a molecular weight of 2010.36 g/mol, XLogP of 17.32, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybenzene-6-id-1-yl)pyridine;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);2-(2-methoxybenzene-6-id-1-yl)pyridine;2-(2-phenoxybenzene-6-id-1-yl)pyridine;2-(2-propan-2-yloxybenzene-6-id-1-yl)pyridine is sourced from PubChem (CID 159343182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).