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

C36H25N5O — CID 153280278

IUPAC2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc(N(c3ccccn3)c3cccc4ccccc34)c2)n1
InChIInChI=1S/C36H25N5O/c42-32-21-7-6-19-30(32)36-39-34(26-13-2-1-3-14-26)38-35(40-36)27-16-10-17-28(24-27)41(33-22-8-9-23-37-33)31-20-11-15-25-12-4-5-18-29(25)31/h1-24,42H
InChIKeyDYAPACVLXZFOPW-UHFFFAOYSA-N
MW543.63 g/mol
LogP8.60
Rot. Bonds6

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

2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol (PubChem CID 153280278) has the molecular formula C36H25N5O and a molecular weight of 543.63 g/mol. Its IUPAC name is 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
PubChem CID153280278
Molecular FormulaC36H25N5O
Molecular Weight543.63 g/mol
Exact Mass543.21
IUPAC Name2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
SMILESOc1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc(N(c3ccccn3)c3cccc4ccccc34)c2)n1
InChIInChI=1S/C36H25N5O/c42-32-21-7-6-19-30(32)36-39-34(26-13-2-1-3-14-26)38-35(40-36)27-16-10-17-28(24-27)41(33-22-8-9-23-37-33)31-20-11-15-25-12-4-5-18-29(25)31/h1-24,42H
InChIKeyDYAPACVLXZFOPW-UHFFFAOYSA-N
XLogP8.60
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.63
LogP ≤ 58.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140873721
2-[6-(2,6-dimethylphenyl)-2-[3-[naphthalen-1-yl(pyridin-2-yl)amino]-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]phenol
CID 153280522
N-[3-[(Z)-1-(methylamino)prop-1-enyl]phenyl]-N-naphthalen-1-ylpyridin-2-amine
CID 134379078
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-[4-[3-[naphthalen-1-yl-(4-pyridin-4-yl-2-pyridinyl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 153280578
2-[4-[3-(2-methylpropyl)-5-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140873898
N-naphthalen-1-yl-N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]pyridin-2-amine
CID 59390674
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
2-[4,5-diphenoxy-6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 155627613
9,10-dimethyl-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-dipyridin-2-ylanthracene-2,6-diamine
CID 58855180
2-[4-(N-phenylanilino)-6-[3-(3-phenyl-N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 155627571
2-[6-[3-(2-phenyl-N-pyridin-2-ylanilino)phenyl]-4-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)-2-pyridinyl]phenol
CID 155627594

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol?
The IUPAC name of 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol (CID 153280278) is 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol is Oc1ccccc1-c1nc(-c2ccccc2)nc(-c2cccc(N(c3ccccn3)c3cccc4ccccc34)c2)n1.
What is the InChIKey of 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol?
The InChIKey is DYAPACVLXZFOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N5O/c42-32-21-7-6-19-30(32)36-39-34(26-13-2-1-3-14-26)38-35(40-36)27-16-10-17-28(24-27)41(33-22-8-9-23-37-33)31-20-11-15-25-12-4-5-18-29(25)31/h1-24,42H.
What are the key properties of 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol?
2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol has a molecular weight of 543.63 g/mol, XLogP of 8.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 153280278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).