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

C50H50N5OPt- — CID 153280503

IUPAC2,4-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
SMILESCC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccn4)c4c(-c5ccccc5)cccc4-c4ccccc4)ccc3)nc(C(C)(C)C)n2)c(O)c(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C50H50N5O.Pt/c1-48(2,3)36-31-40(44(56)41(32-36)49(4,5)6)46-52-45(53-47(54-46)50(7,8)9)35-24-18-25-37(30-35)55(42-28-16-17-29-51-42)43-38(33-20-12-10-13-21-33)26-19-27-39(43)34-22-14-11-15-23-34;/h10-29,31-32,56H,1-9H3;/q-1;
InChIKeyAUDGFPMELWPUPP-UHFFFAOYSA-N
MW932.06 g/mol
LogP12.80
Rot. Bonds7

About 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

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 (PubChem CID 153280503) has the molecular formula C50H50N5OPt- and a molecular weight of 932.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,4-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
PubChem CID153280503
Molecular FormulaC50H50N5OPt-
Molecular Weight932.06 g/mol
Exact Mass931.37
IUPAC Name2,4-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
SMILESCC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccn4)c4c(-c5ccccc5)cccc4-c4ccccc4)ccc3)nc(C(C)(C)C)n2)c(O)c(C(C)(C)C)c1.[Pt]
InChIInChI=1S/C50H50N5O.Pt/c1-48(2,3)36-31-40(44(56)41(32-36)49(4,5)6)46-52-45(53-47(54-46)50(7,8)9)35-24-18-25-37(30-35)55(42-28-16-17-29-51-42)43-38(33-20-12-10-13-21-33)26-19-27-39(43)34-22-14-11-15-23-34;/h10-29,31-32,56H,1-9H3;/q-1;
InChIKeyAUDGFPMELWPUPP-UHFFFAOYSA-N
XLogP12.80
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.06
LogP ≤ 512.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-[4-(3,5-ditert-butylphenyl)-6-[3-(2-phenyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;methane;platinum
CID 159267999
2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 153280476
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
2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 153304170
2-tert-butyl-6-[6-[3-tert-butyl-5-[4-(2-phenylpropan-2-yl)-N-pyridin-2-ylanilino]benzene-6-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
CID 164742249
2-[3-(4-tert-butyl-N-[6-(3,5-ditert-butyl-2-pyridinyl)-2-pyridinyl]-2,6-dimethylanilino)benzene-2-id-1-yl]-6-fluorophenol;platinum
CID 164731396
2-[4-(3,5-ditert-butylphenyl)-6-[3-[naphthalen-1-yl(pyridin-2-yl)amino]benzene-2-id-1-yl]-2-pyridinyl]phenol;methane;platinum
CID 159418074
2,4-ditert-butyl-6-[2-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2,4-ditert-butyl-6-[2-[2-(2-phenyl-N-pyridin-2-ylanilino)-3H-dibenzofuran-3-id-4-yl]-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenol;2-[5,5-dimethyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;2-[5,5-dimethyl-4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)benzene-2-id-1-yl]indeno[1,2-d]pyrimidin-2-yl]phenol;platinum
CID 159004996
2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[1-benzyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-butyl-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(naphthalen-2-ylmethyl)-4-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 162190146
2,4-ditert-butyl-6-[4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140874072
2,4-ditert-butyl-6-[2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenylpyrimidin-4-yl]phenol
CID 153280498
2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
CID 153304201

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(-c2nc(-c3[c-]c(N(c4ccccn4)c4c(-c5ccccc5)cccc4-c4ccccc4)ccc3)nc(C(C)(C)C)n2)c(O)c(C(C)(C)C)c1.[Pt].
What is the InChIKey of 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?
The InChIKey is AUDGFPMELWPUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50N5O.Pt/c1-48(2,3)36-31-40(44(56)41(32-36)49(4,5)6)46-52-45(53-47(54-46)50(7,8)9)35-24-18-25-37(30-35)55(42-28-16-17-29-51-42)43-38(33-20-12-10-13-21-33)26-19-27-39(43)34-22-14-11-15-23-34;/h10-29,31-32,56H,1-9H3;/q-1;.
What are the key properties of 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?
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 has a molecular weight of 932.06 g/mol, XLogP of 12.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153280503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).