2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol

C42H41N3O — CID 153304170

IUPAC2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
SMILESCC(C)(C)c1cc(-c2ccc(-c3ccccc3)c(-c3cccc(N(c4ccccc4)c4ccccn4)c3)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C42H41N3O/c1-41(2,3)31-27-35(40(46)36(28-31)42(4,5)6)37-24-23-34(29-16-9-7-10-17-29)39(44-37)30-18-15-21-33(26-30)45(32-19-11-8-12-20-32)38-22-13-14-25-43-38/h7-28,46H,1-6H3
InChIKeyVFKXVMLJQPIKOX-UHFFFAOYSA-N
MW603.81 g/mol
LogP11.25
Rot. Bonds6

About 2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol

2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol (PubChem CID 153304170) has the molecular formula C42H41N3O and a molecular weight of 603.81 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
PubChem CID153304170
Molecular FormulaC42H41N3O
Molecular Weight603.81 g/mol
Exact Mass603.32
IUPAC Name2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
SMILESCC(C)(C)c1cc(-c2ccc(-c3ccccc3)c(-c3cccc(N(c4ccccc4)c4ccccn4)c3)n2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C42H41N3O/c1-41(2,3)31-27-35(40(46)36(28-31)42(4,5)6)37-24-23-34(29-16-9-7-10-17-29)39(44-37)30-18-15-21-33(26-30)45(32-19-11-8-12-20-32)38-22-13-14-25-43-38/h7-28,46H,1-6H3
InChIKeyVFKXVMLJQPIKOX-UHFFFAOYSA-N
XLogP11.25
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.81
LogP ≤ 511.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenylpyrimidin-4-yl]phenol
CID 153280498
2-[4-(4-benzylphenyl)-6-[3-tert-butyl-5-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]-4,6-ditert-butylphenol
CID 164742330
2,4-ditert-butyl-6-[5-phenyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)-2-pyridinyl]phenol;platinum
CID 153304201
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-[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-[4-[3-[(2,4-dimethyl-3-pyridinyl)-pyridin-2-ylamino]phenyl]-1-methylbenzimidazol-2-yl]phenol
CID 140902945
2-[4-tert-butyl-6-[3-tert-butyl-5-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol
CID 164742517
2,4-ditert-butyl-6-[4-[1-[3-(N-phenylanilino)phenyl]isoquinolin-3-yl]-1,3-benzothiazol-2-yl]phenol
CID 140906034
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
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
N-[3-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-1H-indazol-7-yl)-2-pyridinyl]phenyl]-N-phenylpyridin-2-amine
CID 140854118

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol (CID 153304170) is 2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol is CC(C)(C)c1cc(-c2ccc(-c3ccccc3)c(-c3cccc(N(c4ccccc4)c4ccccn4)c3)n2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol?
The InChIKey is VFKXVMLJQPIKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41N3O/c1-41(2,3)31-27-35(40(46)36(28-31)42(4,5)6)37-24-23-34(29-16-9-7-10-17-29)39(44-37)30-18-15-21-33(26-30)45(32-19-11-8-12-20-32)38-22-13-14-25-43-38/h7-28,46H,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol?
2,4-ditert-butyl-6-[5-phenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol has a molecular weight of 603.81 g/mol, XLogP of 11.25, 6 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-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 153304170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).