2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum

C36H35N2O2Pt- — CID 153304201

IUPAC2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2ccc(-c3ccccc3)c(-c3[c-]c(Oc4ccccn4)ccc3)n2)c(O)c(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C36H35N2O2.Pt/c1-35(2,3)26-22-29(34(39)30(23-26)36(4,5)6)31-19-18-28(24-13-8-7-9-14-24)33(38-31)25-15-12-16-27(21-25)40-32-17-10-11-20-37-32;/h7-20,22-23,39H,1-6H3;/q-1;
InChIKeyHVHPDKCNIIFYEP-UHFFFAOYSA-N
MW722.77 g/mol
LogP9.37
Rot. Bonds5

About 2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum

2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum (PubChem CID 153304201) has the molecular formula C36H35N2O2Pt- and a molecular weight of 722.77 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
PubChem CID153304201
Molecular FormulaC36H35N2O2Pt-
Molecular Weight722.77 g/mol
Exact Mass722.24
IUPAC Name2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2ccc(-c3ccccc3)c(-c3[c-]c(Oc4ccccn4)ccc3)n2)c(O)c(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C36H35N2O2.Pt/c1-35(2,3)26-22-29(34(39)30(23-26)36(4,5)6)31-19-18-28(24-13-8-7-9-14-24)33(38-31)25-15-12-16-27(21-25)40-32-17-10-11-20-37-32;/h7-20,22-23,39H,1-6H3;/q-1;
InChIKeyHVHPDKCNIIFYEP-UHFFFAOYSA-N
XLogP9.37
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.77
LogP ≤ 59.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum with MolForge

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Related Compounds

2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 153304170
2-[4-(2-phenylpropan-2-yl)-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
CID 164742231
2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 153280476
2-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)pyrimidin-2-yl]phenol;platinum
CID 153280372
2,4-ditert-butyl-6-[4-phenyl-6-[3-[4-(2-phenylpropan-2-yl)phenyl]-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164742424
2,4-ditert-butyl-6-[4-tert-butyl-6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-1,3,5-triazin-2-yl]phenol;platinum
CID 153280503
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
platinum;2-[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 153304161
2,4-ditert-butyl-6-[4-tert-butyl-6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 171052004
2,4-ditert-butyl-6-[1-phenyl-7-(2-phenylpropan-2-yl)-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
CID 164742580
2,4-ditert-butyl-6-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 176614220
2,4-ditert-butyl-6-[4-phenyl-6-[3-(N-[4-[4-(1-phenylethyl)phenyl]-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 164743326

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum (CID 153304201) is 2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum is CC(C)(C)c1cc(-c2ccc(-c3ccccc3)c(-c3[c-]c(Oc4ccccn4)ccc3)n2)c(O)c(C(C)(C)C)c1.[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum?
The InChIKey is HVHPDKCNIIFYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N2O2.Pt/c1-35(2,3)26-22-29(34(39)30(23-26)36(4,5)6)31-19-18-28(24-13-8-7-9-14-24)33(38-31)25-15-12-16-27(21-25)40-32-17-10-11-20-37-32;/h7-20,22-23,39H,1-6H3;/q-1;.
What are the key properties of 2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum?
2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum has a molecular weight of 722.77 g/mol, XLogP of 9.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 153304201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).