2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol

C49H44N6O — CID 153280578

IUPAC2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2nc(-c3ccccc3)nc(-c3cccc(N(c4cc(-c5ccncc5)ccn4)c4cccc5ccccc45)c3)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C49H44N6O/c1-48(2,3)37-30-40(44(56)41(31-37)49(4,5)6)47-53-45(34-15-8-7-9-16-34)52-46(54-47)36-18-12-19-38(28-36)55(42-21-13-17-33-14-10-11-20-39(33)42)43-29-35(24-27-51-43)32-22-25-50-26-23-32/h7-31,56H,1-6H3
InChIKeyZXPDJAUVEQHJOL-UHFFFAOYSA-N
MW732.93 g/mol
LogP12.25
Rot. Bonds7

About 2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol

2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol (PubChem CID 153280578) has the molecular formula C49H44N6O and a molecular weight of 732.93 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
PubChem CID153280578
Molecular FormulaC49H44N6O
Molecular Weight732.93 g/mol
Exact Mass732.36
IUPAC Name2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2nc(-c3ccccc3)nc(-c3cccc(N(c4cc(-c5ccncc5)ccn4)c4cccc5ccccc45)c3)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C49H44N6O/c1-48(2,3)37-30-40(44(56)41(31-37)49(4,5)6)47-53-45(34-15-8-7-9-16-34)52-46(54-47)36-18-12-19-38(28-36)55(42-21-13-17-33-14-10-11-20-39(33)42)43-29-35(24-27-51-43)32-22-25-50-26-23-32/h7-31,56H,1-6H3
InChIKeyZXPDJAUVEQHJOL-UHFFFAOYSA-N
XLogP12.25
TPSA87.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.93
LogP ≤ 512.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-ditert-butyl-6-[2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenylpyrimidin-4-yl]phenol
CID 153280498
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 153280278
2,4-ditert-butyl-6-[6-[3-tert-butyl-5-(N-[4-(2-naphthalen-1-ylpropan-2-yl)-2-pyridinyl]anilino)phenyl]-4-phenyl-2-pyridinyl]phenol
CID 164742595
2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 153304170
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-[4-[6-[naphthalen-1-yl(pyridin-2-yl)amino]pyrazin-2-yl]-2-phenyl-5H-1,3-benzothiazol-5-id-6-yl]phenol;platinum
CID 162465901
2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)phenyl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol
CID 140906034
2,4-ditert-butyl-6-[4-(2-phenylpropan-2-yl)-6-[3-phenyl-5-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 164742018
2,4-ditert-butyl-6-[4-tert-butyl-6-(3-pyridin-2-yloxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 153280476
N-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 170095768
N-[3-[4-(3,5-ditert-butylphenyl)-6-(3,6-diphenyl-9H-carbazol-1-yl)-2-pyridinyl]phenyl]-N-naphthalen-1-ylpyridin-2-amine
CID 140854187
1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine
CID 58612735

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol (CID 153280578) is 2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol is CC(C)(C)c1cc(-c2nc(-c3ccccc3)nc(-c3cccc(N(c4cc(-c5ccncc5)ccn4)c4cccc5ccccc45)c3)n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol?
The InChIKey is ZXPDJAUVEQHJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44N6O/c1-48(2,3)37-30-40(44(56)41(31-37)49(4,5)6)47-53-45(34-15-8-7-9-16-34)52-46(54-47)36-18-12-19-38(28-36)55(42-21-13-17-33-14-10-11-20-39(33)42)43-29-35(24-27-51-43)32-22-25-50-26-23-32/h7-31,56H,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol?
2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol has a molecular weight of 732.93 g/mol, XLogP of 12.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 153280578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).