5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium

C127H108F9IrN11O2OsPdPt6Rh-9 — CID 158622908

IUPAC5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium
SMILESCC(=O)C=C(C)O.CC(C)(C)c1ccc(C2=[C-]C=CC=CC2)nc1.FC(F)(F)c1ccc(C2=[C-]C=CC=CC2)nc1.FC(F)(F)c1ccc(C2=[C-]C=CC=CC2)nc1.FC(F)(F)c1ccc(C2=[C-]C=CC=CC2)nc1.[C-]1=C(c2ccccn2)CC=C1.[C-]1=C(c2ccccn2)CC=CC=C1.[C-]1=C(c2ccccn2)CC=CC=C1.[C-]1=C(c2ccccn2)CC=CC=C1.[C-]1=C(c2ccccn2)CC=CC=C1.[Ir].[Os+].[Pd].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Rh].[c-]1cccn1-c1ccccn1
InChIInChI=1S/C16H18N.3C13H9F3N.4C12H10N.C10H8N.C9H7N2.C5H8O2.Ir.Os.Pd.6Pt.Rh/c1-16(2,3)14-10-11-15(17-12-14)13-8-6-4-5-7-9-13;3*14-13(15,16)11-7-8-12(17-9-11)10-5-3-1-2-4-6-10;4*1-2-4-8-11(7-3-1)12-9-5-6-10-13-12;1-2-6-9(5-1)10-7-3-4-8-11-10;1-2-6-10-9(5-1)11-7-3-4-8-11;1-4(6)3-5(2)7;;;;;;;;;;/h4-7,10-12H,8H2,1-3H3;3*1-4,7-9H,5H2;4*1-6,9-10H,7H2;1-4,7-8H,5H2;1-7H;3,6H,1-2H3;;;;;;;;;;/q10*-1;;;+1;;;;;;;;
InChIKeyPZWXJEILKXGUSJ-UHFFFAOYSA-N
MW3753.56 g/mol
LogP31.54
Rot. Bonds11

About 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium

5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium (PubChem CID 158622908) has the molecular formula C127H108F9IrN11O2OsPdPt6Rh-9 and a molecular weight of 3753.56 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium.

Molecular Properties

Compound Name5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium
PubChem CID158622908
Molecular FormulaC127H108F9IrN11O2OsPdPt6Rh-9
Molecular Weight3753.56 g/mol
Exact Mass3753.38
IUPAC Name5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium
SMILESCC(=O)C=C(C)O.CC(C)(C)c1ccc(C2=[C-]C=CC=CC2)nc1.FC(F)(F)c1ccc(C2=[C-]C=CC=CC2)nc1.FC(F)(F)c1ccc(C2=[C-]C=CC=CC2)nc1.FC(F)(F)c1ccc(C2=[C-]C=CC=CC2)nc1.[C-]1=C(c2ccccn2)CC=C1.[C-]1=C(c2ccccn2)CC=CC=C1.[C-]1=C(c2ccccn2)CC=CC=C1.[C-]1=C(c2ccccn2)CC=CC=C1.[C-]1=C(c2ccccn2)CC=CC=C1.[Ir].[Os+].[Pd].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Rh].[c-]1cccn1-c1ccccn1
InChIInChI=1S/C16H18N.3C13H9F3N.4C12H10N.C10H8N.C9H7N2.C5H8O2.Ir.Os.Pd.6Pt.Rh/c1-16(2,3)14-10-11-15(17-12-14)13-8-6-4-5-7-9-13;3*14-13(15,16)11-7-8-12(17-9-11)10-5-3-1-2-4-6-10;4*1-2-4-8-11(7-3-1)12-9-5-6-10-13-12;1-2-6-9(5-1)10-7-3-4-8-11-10;1-2-6-10-9(5-1)11-7-3-4-8-11;1-4(6)3-5(2)7;;;;;;;;;;/h4-7,10-12H,8H2,1-3H3;3*1-4,7-9H,5H2;4*1-6,9-10H,7H2;1-4,7-8H,5H2;1-7H;3,6H,1-2H3;;;;;;;;;;/q10*-1;;;+1;;;;;;;;
InChIKeyPZWXJEILKXGUSJ-UHFFFAOYSA-N
XLogP31.54
TPSA171.13 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003753.56
LogP ≤ 531.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium with MolForge

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Related Compounds

5-Tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;2-cyclohepta-1,3,5-trien-1-yl-1-phenylimidazole;2-cyclohepta-1,3,5-trien-1-ylpyridine;2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine;2-cyclopenta-1,3-dien-1-ylpyridine;4-(7,7-dimethylcyclohepta-1,3,5-trien-1-yl)pyrimidine;bis(4-hydroxypent-3-en-2-one);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tris(iridium);platinum
CID 158065335
2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;tris(iridium);5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(3-methyl-2-(3-phenylbenzene-6-id-1-yl)quinoline);platinum(2+)
CID 158741165
2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2,6-difluoro-3-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;4-hydroxypent-3-en-2-one;bis(iridium);1-phenylisoquinoline;2-phenylquinoline;tris(platinum(2+));2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 160043114
5-Tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tris(2-cyclohepta-1,3,5-trien-1-ylpyridine);bis(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);4-hydroxypent-3-en-2-one;osmium(1+);palladium;platinum;rhodium
CID 160358740
4-hydroxypent-3-en-2-one;iridium;3-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;2-(3-methyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;bis(platinum(2+))
CID 160584823
2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;4-hydroxypent-3-en-2-ylideneoxidanium;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;2-phenyl-6-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyridine;platinum
CID 159195556
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-3-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-6-methylpyridine;4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2,4,5-trifluorobenzene-6-id-1-yl)pyridine
CID 162067867

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium?
The IUPAC name of 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium (CID 158622908) is 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium.
What is the SMILES notation for 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium?
The canonical SMILES for 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium is CC(=O)C=C(C)O.CC(C)(C)c1ccc(C2=[C-]C=CC=CC2)nc1.FC(F)(F)c1ccc(C2=[C-]C=CC=CC2)nc1.FC(F)(F)c1ccc(C2=[C-]C=CC=CC2)nc1.FC(F)(F)c1ccc(C2=[C-]C=CC=CC2)nc1.[C-]1=C(c2ccccn2)CC=C1.[C-]1=C(c2ccccn2)CC=CC=C1.[C-]1=C(c2ccccn2)CC=CC=C1.[C-]1=C(c2ccccn2)CC=CC=C1.[C-]1=C(c2ccccn2)CC=CC=C1.[Ir].[Os+].[Pd].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Rh].[c-]1cccn1-c1ccccn1.
What is the InChIKey of 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium?
The InChIKey is PZWXJEILKXGUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N.3C13H9F3N.4C12H10N.C10H8N.C9H7N2.C5H8O2.Ir.Os.Pd.6Pt.Rh/c1-16(2,3)14-10-11-15(17-12-14)13-8-6-4-5-7-9-13;3*14-13(15,16)11-7-8-12(17-9-11)10-5-3-1-2-4-6-10;4*1-2-4-8-11(7-3-1)12-9-5-6-10-13-12;1-2-6-9(5-1)10-7-3-4-8-11-10;1-2-6-10-9(5-1)11-7-3-4-8-11;1-4(6)3-5(2)7;;;;;;;;;;/h4-7,10-12H,8H2,1-3H3;3*1-4,7-9H,5H2;4*1-6,9-10H,7H2;1-4,7-8H,5H2;1-7H;3,6H,1-2H3;;;;;;;;;;/q10*-1;;;+1;;;;;;;;.
What are the key properties of 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium?
5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium has a molecular weight of 3753.56 g/mol, XLogP of 31.54, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;tetrakis(2-cyclohepta-1,3,5-trien-1-ylpyridine);tris(2-cyclohepta-1,3,5-trien-1-yl-5-(trifluoromethyl)pyridine);2-cyclopenta-1,3-dien-1-ylpyridine;4-hydroxypent-3-en-2-one;iridium;osmium(1+);palladium;platinum;2-(2H-pyrrol-2-id-1-yl)pyridine;rhodium is sourced from PubChem (CID 158622908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).