tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide

C106H106Ir4N12O10-8 — CID 158691565

IUPACtetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide
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)(C[N-]Cc1ccccn1)c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1c(OC[N-]Cc2ccccn2)cccc1-c1nccc2ccccc12.[c-]1ccccc1-c1cccc(C(C[N-]Cc2ccccn2)c2ccccc2)n1.[c-]1ccccc1-c1cccc(OC[N-]Cc2ccccn2)n1
InChIInChI=1S/C25H21N3.C22H17N3O.C21H21N3.C18H15N3O.4C5H8O2.4Ir/c1-3-10-20(11-4-1)23(19-26-18-22-14-7-8-17-27-22)25-16-9-15-24(28-25)21-12-5-2-6-13-21;1-2-10-21-17(6-1)11-13-25-22(21)18-7-5-9-20(14-18)26-16-23-15-19-8-3-4-12-24-19;1-21(2,16-22-15-18-11-6-7-14-23-18)20-13-8-12-19(24-20)17-9-4-3-5-10-17;1-2-7-15(8-3-1)17-10-6-11-18(21-17)22-14-19-13-16-9-4-5-12-20-16;4*1-4(6)3-5(2)7;;;;/h1-12,14-17,23H,18-19H2;1-13H,15-16H2;3-9,11-14H,15-16H2,1-2H3;1-7,9-12H,13-14H2;4*3,6H,1-2H3;;;;/q4*-2;;;;;;;;
InChIKeyDIESQGLITYDYNI-UHFFFAOYSA-N
MW2476.96 g/mol
LogP23.44
Rot. Bonds29

About tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide

tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide (PubChem CID 158691565) has the molecular formula C106H106Ir4N12O10-8 and a molecular weight of 2476.96 g/mol. Its IUPAC name is tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide.

Molecular Properties

Compound Nametetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide
PubChem CID158691565
Molecular FormulaC106H106Ir4N12O10-8
Molecular Weight2476.96 g/mol
Exact Mass2478.67
IUPAC Nametetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide
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)(C[N-]Cc1ccccn1)c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1c(OC[N-]Cc2ccccn2)cccc1-c1nccc2ccccc12.[c-]1ccccc1-c1cccc(C(C[N-]Cc2ccccn2)c2ccccc2)n1.[c-]1ccccc1-c1cccc(OC[N-]Cc2ccccn2)n1
InChIInChI=1S/C25H21N3.C22H17N3O.C21H21N3.C18H15N3O.4C5H8O2.4Ir/c1-3-10-20(11-4-1)23(19-26-18-22-14-7-8-17-27-22)25-16-9-15-24(28-25)21-12-5-2-6-13-21;1-2-10-21-17(6-1)11-13-25-22(21)18-7-5-9-20(14-18)26-16-23-15-19-8-3-4-12-24-19;1-21(2,16-22-15-18-11-6-7-14-23-18)20-13-8-12-19(24-20)17-9-4-3-5-10-17;1-2-7-15(8-3-1)17-10-6-11-18(21-17)22-14-19-13-16-9-4-5-12-20-16;4*1-4(6)3-5(2)7;;;;/h1-12,14-17,23H,18-19H2;1-13H,15-16H2;3-9,11-14H,15-16H2,1-2H3;1-7,9-12H,13-14H2;4*3,6H,1-2H3;;;;/q4*-2;;;;;;;;
InChIKeyDIESQGLITYDYNI-UHFFFAOYSA-N
XLogP23.44
TPSA327.18 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002476.96
LogP ≤ 523.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide with MolForge

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Related Compounds

2-(2,4-Dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+)
CID 157314476
4-methoxy-6-[2-[4-methoxy-5-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]propan-2-yl]-3-(4-methoxyphenyl)-2-phenylpyridine;2-[4-methoxy-6-[2-(4-methoxy-6-phenyl-5-pyrazin-2-yl-2-pyridinyl)propan-2-yl]-2-phenyl-3-pyridinyl]pyrazine;2-(3H-naphthalen-3-id-2-yl)-6-[2-[6-(3H-naphthalen-3-id-2-yl)-5-phenyl-2-pyridinyl]propan-2-yl]-3-phenylpyridine;pentakis(platinum(2+));3-pyridin-2-yl-6-[2-[5-pyridin-2-yl-6-[3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)benzene-6-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)benzene-6-id-1-yl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]propan-2-yl]-3-[4-(trifluoromethyl)phenyl]pyridine
CID 157718467
Tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methylpyridine;2-(2,4-dimethoxybenzene-6-id-1-yl)pyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;octakis(4-hydroxypent-3-en-2-one);heptakis(iridium);4-methoxy-2-(2-methoxybenzene-6-id-1-yl)pyridine;4-methoxy-2-(4-methoxybenzene-6-id-1-yl)pyridine;4-methoxy-2-(2-methoxy-4-methylbenzene-6-id-1-yl)pyridine;4-methoxy-2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine;4-methoxy-2-(2-methoxy-4-naphthalen-1-ylbenzene-6-id-1-yl)pyridine;platinum;platinum(2+)
CID 158497057
CID 161446940
CID 161446940
5-(2,2-Dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+)
CID 153276443
(Z)-4-hydroxypent-3-en-2-one;iridium;(6-isoquinolin-1-yl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide
CID 153419177
5-[2-[3-[2-[2-[5-[2-[3,5-bis[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-[8-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]phenyl]phenyl]phenyl]-8-pyridin-2-yl-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium(3+))
CID 153448931
5-[2-[3-[2-[2-[5-[2-[3,5-bis[2-(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl)phenyl]phenyl]phenyl]-3H-pyridin-3-id-2-yl]-3H-pyridin-3-id-5-yl]phenyl]-5-[2-(2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl)phenyl]phenyl]phenyl]-2-methyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;bis(iridium(3+))
CID 153448978
2-[2-[2-[3,5-bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-(3H-pyridin-3-id-2-yl)benzene-3,5-diid-1-yl]phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+);tris(platinum(2+))
CID 156674126
2-[2-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-5-(3H-pyridin-3-id-2-yl)benzene-4,6-diid-1-yl]oxy-6-pyridin-2-ylpyridine;iridium(3+);platinum(2+)
CID 156674156
2-[2-[2-[3,5-Bis[2-[2-[(4-phenyl-6-pyridin-2-yl-2-pyridinyl)oxy]-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-5-pyridin-2-ylbenzene-4-id-1-yl]oxy-4-phenyl-6-pyridin-2-ylpyridine;iridium(3+)
CID 156674208
Tris(4-hydroxypent-3-en-2-one);tris(iridium);[2-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-2-methylpropyl]-(pyridin-2-ylmethyl)azanide;(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-(3-isoquinolin-1-ylbenzene-2-id-1-yl)-2-phenylethyl]-(pyridin-2-ylmethyl)azanide
CID 157112813

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide?
The IUPAC name of tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide (CID 158691565) is tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide.
What is the SMILES notation for tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide?
The canonical SMILES for tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide 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)(C[N-]Cc1ccccn1)c1cccc(-c2[c-]cccc2)n1.[Ir].[Ir].[Ir].[Ir].[c-]1c(OC[N-]Cc2ccccn2)cccc1-c1nccc2ccccc12.[c-]1ccccc1-c1cccc(C(C[N-]Cc2ccccn2)c2ccccc2)n1.[c-]1ccccc1-c1cccc(OC[N-]Cc2ccccn2)n1.
What is the InChIKey of tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide?
The InChIKey is DIESQGLITYDYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3.C22H17N3O.C21H21N3.C18H15N3O.4C5H8O2.4Ir/c1-3-10-20(11-4-1)23(19-26-18-22-14-7-8-17-27-22)25-16-9-15-24(28-25)21-12-5-2-6-13-21;1-2-10-21-17(6-1)11-13-25-22(21)18-7-5-9-20(14-18)26-16-23-15-19-8-3-4-12-24-19;1-21(2,16-22-15-18-11-6-7-14-23-18)20-13-8-12-19(24-20)17-9-4-3-5-10-17;1-2-7-15(8-3-1)17-10-6-11-18(21-17)22-14-19-13-16-9-4-5-12-20-16;4*1-4(6)3-5(2)7;;;;/h1-12,14-17,23H,18-19H2;1-13H,15-16H2;3-9,11-14H,15-16H2,1-2H3;1-7,9-12H,13-14H2;4*3,6H,1-2H3;;;;/q4*-2;;;;;;;;.
What are the key properties of tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide?
tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide has a molecular weight of 2476.96 g/mol, XLogP of 23.44, 29 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);(3-isoquinolin-1-ylbenzene-2-id-1-yl)oxymethyl-(pyridin-2-ylmethyl)azanide;[2-methyl-2-(6-phenyl-2-pyridinyl)propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-(6-phenyl-2-pyridinyl)ethyl]-(pyridin-2-ylmethyl)azanide;(6-phenyl-2-pyridinyl)oxymethyl-(pyridin-2-ylmethyl)azanide is sourced from PubChem (CID 158691565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).