5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum

C16H18NPt- — CID 59661682

IUPAC5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum
SMILESCC(C)(C)c1ccc(C2=[C-]C=CC=CC2)nc1.[Pt]
InChIInChI=1S/C16H18N.Pt/c1-16(2,3)14-10-11-15(17-12-14)13-8-6-4-5-7-9-13;/h4-7,10-12H,8H2,1-3H3;/q-1;
InChIKeyGQBAVKRHMFEMFY-UHFFFAOYSA-N
MW419.41 g/mol
LogP4.08
Rot. Bonds1

About 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum

5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum (PubChem CID 59661682) has the molecular formula C16H18NPt- and a molecular weight of 419.41 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum.

Molecular Properties

Compound Name5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum
PubChem CID59661682
Molecular FormulaC16H18NPt-
Molecular Weight419.41 g/mol
Exact Mass419.11
IUPAC Name5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum
SMILESCC(C)(C)c1ccc(C2=[C-]C=CC=CC2)nc1.[Pt]
InChIInChI=1S/C16H18N.Pt/c1-16(2,3)14-10-11-15(17-12-14)13-8-6-4-5-7-9-13;/h4-7,10-12H,8H2,1-3H3;/q-1;
InChIKeyGQBAVKRHMFEMFY-UHFFFAOYSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 59661593
2-phenyl-5-(2-phenylpropan-2-yl)pyridine
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5-tert-butyl-2-(furan-3-yl)pyridine
CID 59138577
[2-(5-tert-butyl-2-pyridinyl)phenyl]phosphane
CID 170336465
5-tert-butyl-2-thiophen-2-ylpyridine
CID 59737214
5-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyridine
CID 118300467
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
5-tert-butyl-2-methylpyridine;methane
CID 157425273
bis(5-tert-butyl-2-pyridin-2-ylpyridine);iridium;2-pyridin-2-ylpyridine;hexafluorophosphate
CID 155981998
5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine
CID 89491323

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum?
The IUPAC name of 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum (CID 59661682) is 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum.
What is the SMILES notation for 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum?
The canonical SMILES for 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum is CC(C)(C)c1ccc(C2=[C-]C=CC=CC2)nc1.[Pt].
What is the InChIKey of 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum?
The InChIKey is GQBAVKRHMFEMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N.Pt/c1-16(2,3)14-10-11-15(17-12-14)13-8-6-4-5-7-9-13;/h4-7,10-12H,8H2,1-3H3;/q-1;.
What are the key properties of 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum?
5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum has a molecular weight of 419.41 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclohepta-1,3,5-trien-1-ylpyridine;platinum is sourced from PubChem (CID 59661682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).