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

C101H107F3Ir3N8O6Pt3-6 — CID 158065335

IUPAC5-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
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)c1ccc(C2=[C-]C=CC=CC2)nc1.CC1(C)C=CC=C[C-]=C1c1ccncn1.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(c2nccn2-c2ccccc2)CC=CC=C1.[Ir].[Ir].[Ir].[Pt].[Pt].[Pt]
InChIInChI=1S/C16H13N2.C16H18N.C13H9F3N.C13H13N2.C12H10N.C11H20O2.C10H8N.2C5H8O2.3Ir.3Pt/c1-2-5-9-14(8-4-1)16-17-12-13-18(16)15-10-6-3-7-11-15;1-16(2,3)14-10-11-15(17-12-14)13-8-6-4-5-7-9-13;14-13(15,16)11-7-8-12(17-9-11)10-5-3-1-2-4-6-10;1-13(2)8-5-3-4-6-11(13)12-7-9-14-10-15-12;1-2-4-8-11(7-3-1)12-9-5-6-10-13-12;1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-6-9(5-1)10-7-3-4-8-11-10;2*1-4(6)3-5(2)7;;;;;;/h1-7,10-13H,8H2;4-7,10-12H,8H2,1-3H3;1-4,7-9H,5H2;3-5,7-10H,1-2H3;1-6,9-10H,7H2;7,12H,1-6H3;1-4,7-8H,5H2;2*3,6H,1-2H3;;;;;;/q5*-1;;-1;;;;;;;;
InChIKeySJEJMWOMTMCLGP-UHFFFAOYSA-N
MW2747.90 g/mol
LogP24.44
Rot. Bonds10

About 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

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 (PubChem CID 158065335) has the molecular formula C101H107F3Ir3N8O6Pt3-6 and a molecular weight of 2747.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158065335
Molecular FormulaC101H107F3Ir3N8O6Pt3-6
Molecular Weight2747.90 g/mol
Exact Mass2748.61
IUPAC Name5-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
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)c1ccc(C2=[C-]C=CC=CC2)nc1.CC1(C)C=CC=C[C-]=C1c1ccncn1.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(c2nccn2-c2ccccc2)CC=CC=C1.[Ir].[Ir].[Ir].[Pt].[Pt].[Pt]
InChIInChI=1S/C16H13N2.C16H18N.C13H9F3N.C13H13N2.C12H10N.C11H20O2.C10H8N.2C5H8O2.3Ir.3Pt/c1-2-5-9-14(8-4-1)16-17-12-13-18(16)15-10-6-3-7-11-15;1-16(2,3)14-10-11-15(17-12-14)13-8-6-4-5-7-9-13;14-13(15,16)11-7-8-12(17-9-11)10-5-3-1-2-4-6-10;1-13(2)8-5-3-4-6-11(13)12-7-9-14-10-15-12;1-2-4-8-11(7-3-1)12-9-5-6-10-13-12;1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-6-9(5-1)10-7-3-4-8-11-10;2*1-4(6)3-5(2)7;;;;;;/h1-7,10-13H,8H2;4-7,10-12H,8H2,1-3H3;1-4,7-9H,5H2;3-5,7-10H,1-2H3;1-6,9-10H,7H2;7,12H,1-6H3;1-4,7-8H,5H2;2*3,6H,1-2H3;;;;;;/q5*-1;;-1;;;;;;;;
InChIKeySJEJMWOMTMCLGP-UHFFFAOYSA-N
XLogP24.44
TPSA207.06 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002747.90
LogP ≤ 524.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

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;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)c1ccc(C2=[C-]C=CC=CC2)nc1.CC1(C)C=CC=C[C-]=C1c1ccncn1.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(c2nccn2-c2ccccc2)CC=CC=C1.[Ir].[Ir].[Ir].[Pt].[Pt].[Pt].
What is the InChIKey of 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?
The InChIKey is SJEJMWOMTMCLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2.C16H18N.C13H9F3N.C13H13N2.C12H10N.C11H20O2.C10H8N.2C5H8O2.3Ir.3Pt/c1-2-5-9-14(8-4-1)16-17-12-13-18(16)15-10-6-3-7-11-15;1-16(2,3)14-10-11-15(17-12-14)13-8-6-4-5-7-9-13;14-13(15,16)11-7-8-12(17-9-11)10-5-3-1-2-4-6-10;1-13(2)8-5-3-4-6-11(13)12-7-9-14-10-15-12;1-2-4-8-11(7-3-1)12-9-5-6-10-13-12;1-10(2,3)8(12)7-9(13)11(4,5)6;1-2-6-9(5-1)10-7-3-4-8-11-10;2*1-4(6)3-5(2)7;;;;;;/h1-7,10-13H,8H2;4-7,10-12H,8H2,1-3H3;1-4,7-9H,5H2;3-5,7-10H,1-2H3;1-6,9-10H,7H2;7,12H,1-6H3;1-4,7-8H,5H2;2*3,6H,1-2H3;;;;;;/q5*-1;;-1;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2747.90 g/mol, XLogP of 24.44, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158065335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).