2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol

C30H21N3O — CID 136592861

IUPAC2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol
SMILESCc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c(O)c1
InChIInChI=1S/C30H21N3O/c1-19-16-17-26(27(34)18-19)30-32-28(24-14-6-10-20-8-2-4-12-22(20)24)31-29(33-30)25-15-7-11-21-9-3-5-13-23(21)25/h2-18,34H,1H3
InChIKeyVPQBWTARNGRASW-UHFFFAOYSA-N
MW439.52 g/mol
LogP7.19
Rot. Bonds3

About 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol

2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol (PubChem CID 136592861) has the molecular formula C30H21N3O and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol.

Molecular Properties

Compound Name2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol
PubChem CID136592861
Molecular FormulaC30H21N3O
Molecular Weight439.52 g/mol
Exact Mass439.17
IUPAC Name2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol
SMILESCc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c(O)c1
InChIInChI=1S/C30H21N3O/c1-19-16-17-26(27(34)18-19)30-32-28(24-14-6-10-20-8-2-4-12-22(20)24)31-29(33-30)25-15-7-11-21-9-3-5-13-23(21)25/h2-18,34H,1H3
InChIKeyVPQBWTARNGRASW-UHFFFAOYSA-N
XLogP7.19
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]phenol
CID 135671150
4-[4-(2,4-dimethylphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 154233964
2-[4-anilino-6-(2-hydroxy-4-methylphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
CID 135611721
2-(3-methylphenanthren-1-yl)-4-naphthalen-1-yl-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 174232925
2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-methylphenol
CID 135621950
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491
2-[6-[6-(2-hydroxy-4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol
CID 135544149
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
2-[10-(3,5-dimethylphenyl)anthracen-9-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 130355577
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
2-[4-(2,4-dimethylanilino)quinazolin-2-yl]phenol
CID 2057502
3-methylphenol;naphthalen-1-ol
CID 66623772

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol?
The IUPAC name of 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol (CID 136592861) is 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol.
What is the SMILES notation for 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol?
The canonical SMILES for 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol is Cc1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c(O)c1.
What is the InChIKey of 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol?
The InChIKey is VPQBWTARNGRASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O/c1-19-16-17-26(27(34)18-19)30-32-28(24-14-6-10-20-8-2-4-12-22(20)24)31-29(33-30)25-15-7-11-21-9-3-5-13-23(21)25/h2-18,34H,1H3.
What are the key properties of 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol?
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol has a molecular weight of 439.52 g/mol, XLogP of 7.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-methylphenol is sourced from PubChem (CID 136592861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).