4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum

C27H27N2OPt- — CID 58850608

IUPAC4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum
SMILESCCC(C)c1ccc(O)cc1.Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.[Pt]
InChIInChI=1S/C17H13N2.C10H14O.Pt/c1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;1-3-8(2)9-4-6-10(11)7-5-9;/h2-11H,1H3;4-8,11H,3H2,1-2H3;/q-1;;
InChIKeyDINAFGXBLXPGMW-UHFFFAOYSA-N
MW590.60 g/mol
LogP6.82
Rot. Bonds4

About 4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum

4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum (PubChem CID 58850608) has the molecular formula C27H27N2OPt- and a molecular weight of 590.60 g/mol. Its IUPAC name is 4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum.

Molecular Properties

Compound Name4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum
PubChem CID58850608
Molecular FormulaC27H27N2OPt-
Molecular Weight590.60 g/mol
Exact Mass590.18
IUPAC Name4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum
SMILESCCC(C)c1ccc(O)cc1.Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.[Pt]
InChIInChI=1S/C17H13N2.C10H14O.Pt/c1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;1-3-8(2)9-4-6-10(11)7-5-9;/h2-11H,1H3;4-8,11H,3H2,1-2H3;/q-1;;
InChIKeyDINAFGXBLXPGMW-UHFFFAOYSA-N
XLogP6.82
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.60
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
4-(Pyridin-2-ylmethyl)phenol
CID 603599
trans-6-[1-Ethyl-2-(4-hydroxy-phenyl)-propyl]-pyridin-3-ol
CID 44224542
trans-6-[1-Ethyl-2-(4-hydroxy-phenyl)-butyl]-pyridin-3-ol
CID 44224544
3-[(7R,8R,9aR)-7,8-dimethyl-2-(pyridin-2-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094383
4-[5-(1H-indol-2-yl)-3-pyridinyl]phenol
CID 44585327
3-(4-Hydroxybenzylidene)anabaseine
CID 135530053
3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum?
The IUPAC name of 4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum (CID 58850608) is 4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum.
What is the SMILES notation for 4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum?
The canonical SMILES for 4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum is CCC(C)c1ccc(O)cc1.Cc1cc(-c2ccccn2)[c-]c(-c2ccccn2)c1.[Pt].
What is the InChIKey of 4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum?
The InChIKey is DINAFGXBLXPGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N2.C10H14O.Pt/c1-13-10-14(16-6-2-4-8-18-16)12-15(11-13)17-7-3-5-9-19-17;1-3-8(2)9-4-6-10(11)7-5-9;/h2-11H,1H3;4-8,11H,3H2,1-2H3;/q-1;;.
What are the key properties of 4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum?
4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum has a molecular weight of 590.60 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylphenol;2-(3-methyl-5-pyridin-2-ylbenzene-6-id-1-yl)pyridine;platinum is sourced from PubChem (CID 58850608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).