4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium

C74H64Ir4N9O3Rh-5 — CID 159706661

IUPAC4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium
SMILESCC(=O)C=C(C)O.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Rh].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1Oc1ccccc1
InChIInChI=1S/C18H17N2.C15H11N2O.C15H11N2.C11H8N.C10H9N2.C5H8O2.4Ir.Rh/c1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-3-7-13(8-4-1)15-16-11-12-17(15)18-14-9-5-2-6-10-14;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;;;;;/h4-7,9-12H,1-3H3;1-7,9-12H;1-7,9-12H;1-6,8-9H;2-5,7-8H,1H3;3,6H,1-2H3;;;;;/q5*-1;;;;;;
InChIKeyJAESCDSQNQDZID-UHFFFAOYSA-N
MW1999.16 g/mol
LogP16.26
Rot. Bonds10

About 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium

4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium (PubChem CID 159706661) has the molecular formula C74H64Ir4N9O3Rh-5 and a molecular weight of 1999.16 g/mol. Its IUPAC name is 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium.

Molecular Properties

Compound Name4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium
PubChem CID159706661
Molecular FormulaC74H64Ir4N9O3Rh-5
Molecular Weight1999.16 g/mol
Exact Mass2001.27
IUPAC Name4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium
SMILESCC(=O)C=C(C)O.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Rh].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1Oc1ccccc1
InChIInChI=1S/C18H17N2.C15H11N2O.C15H11N2.C11H8N.C10H9N2.C5H8O2.4Ir.Rh/c1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-3-7-13(8-4-1)15-16-11-12-17(15)18-14-9-5-2-6-10-14;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;;;;;/h4-7,9-12H,1-3H3;1-7,9-12H;1-7,9-12H;1-6,8-9H;2-5,7-8H,1H3;3,6H,1-2H3;;;;;/q5*-1;;;;;;
InChIKeyJAESCDSQNQDZID-UHFFFAOYSA-N
XLogP16.26
TPSA130.70 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001999.16
LogP ≤ 516.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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'}

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Related Compounds

iridium;oxalic acid;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 153499828
(Z)-4-hydroxypent-3-en-2-one;2-phenylpyridine;rhodium
CID 58099744
1-(2,6-dimethyl-4-phenoxyphenyl)-2-phenylimidazole;iridium
CID 58947249
1-benzyl-2-phenylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-difluorobenzene-6-id-1-yl)-1-phenylimidazole;pentakis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(4-methoxybenzene-6-id-1-yl)-1-methylimidazole;1-methyl-2-phenylimidazole
CID 160591361
1-(2,6-dimethylphenyl)-2-phenylimidazole;ethane;4-hydroxypent-3-en-2-one;hexakis(iridium);tris(iridium(3+));1-methyl-2-phenylbenzimidazole;1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-3-phenyl-2H-imidazol-2-ide;1-phenyl-2-phenylbenzimidazole;nonakis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole);1-phenyl-3-phenyl-2H-imidazol-2-ide;2-phenylpyridine
CID 157336097
CID 157124313
CID 157124313
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
iridium(3+);tris(1-phenyl-2-phenylimidazole)
CID 58401377
bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);iridium(3+);2-phenylpyridine
CID 170539461
2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;tetrakis(iridium);iridium(3+);bis(1-methyl-2-phenylimidazole);1-phenyl-2-phenylimidazole;1-phenyl-3-phenyl-2H-imidazol-2-ide
CID 158359208
iridium;(E)-4-methanidylpent-3-en-2-one;2-phenylpyridine
CID 59357334
3-(8-butan-2-yloxydibenzofuran-2-yl)-9-[3-[3-[8-[2-[4-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]benzene-5-id-1-yl]ethyl]dibenzofuran-2-yl]carbazol-9-yl]phenyl]carbazole;iridium;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;2-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]pyridine
CID 58501599

Frequently Asked Questions

What is the IUPAC name of 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium?
The IUPAC name of 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium (CID 159706661) is 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium.
What is the SMILES notation for 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium?
The canonical SMILES for 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium is CC(=O)C=C(C)O.Cc1cc(C)c(-n2ccnc2-c2[c-]cccc2)c(C)c1.Cn1ccnc1-c1[c-]cccc1.[Ir].[Ir].[Ir].[Ir].[Rh].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nccn1-c1ccccc1.[c-]1ccccc1-c1nccn1Oc1ccccc1.
What is the InChIKey of 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium?
The InChIKey is JAESCDSQNQDZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2.C15H11N2O.C15H11N2.C11H8N.C10H9N2.C5H8O2.4Ir.Rh/c1-13-11-14(2)17(15(3)12-13)20-10-9-19-18(20)16-7-5-4-6-8-16;1-3-7-13(8-4-1)15-16-11-12-17(15)18-14-9-5-2-6-10-14;1-3-7-13(8-4-1)15-16-11-12-17(15)14-9-5-2-6-10-14;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-4(6)3-5(2)7;;;;;/h4-7,9-12H,1-3H3;1-7,9-12H;1-7,9-12H;1-6,8-9H;2-5,7-8H,1H3;3,6H,1-2H3;;;;;/q5*-1;;;;;;.
What are the key properties of 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium?
4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium has a molecular weight of 1999.16 g/mol, XLogP of 16.26, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypent-3-en-2-one;tetrakis(iridium);1-methyl-2-phenylimidazole;1-phenoxy-2-phenylimidazole;1-phenyl-2-phenylimidazole;2-phenylpyridine;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;rhodium is sourced from PubChem (CID 159706661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).