2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol

C131H97N15O15 — CID 165083326

IUPAC2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol
SMILESCOc1ccc(-c2nc(OC)nc(-c3c4ccccc4cc4ccccc34)n2)c(O)c1.COc1ccc(-c2nc(OC)nc(-c3cc4c5ccccc5ccc4c4ccccc34)n2)c(O)c1.COc1ccc(-c2nc(OC)nc(-c3cc4ccccc4c4ccccc34)n2)c(O)c1.COc1ccc(-c2nc(OC)nc(-c3ccc4cc5ccccc5cc4c3)n2)c(O)c1.COc1ccc(-c2nc(OC)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)c(O)c1
InChIInChI=1S/C29H21N3O3.C27H19N3O3.3C25H19N3O3/c1-34-18-12-14-23(26(33)15-18)27-30-28(32-29(31-27)35-2)25-16-24-19-8-4-3-7-17(19)11-13-22(24)20-9-5-6-10-21(20)25;1-32-18-10-13-21(22(31)14-18)26-28-25(29-27(30-26)33-2)20-12-9-17-7-6-15-4-3-5-16-8-11-19(20)24(17)23(15)16;1-30-17-11-12-20(21(29)14-17)23-26-24(28-25(27-23)31-2)22-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)22;1-30-16-11-12-20(22(29)14-16)23-26-24(28-25(27-23)31-2)21-13-15-7-3-4-8-17(15)18-9-5-6-10-19(18)21;1-30-20-9-10-21(22(29)14-20)24-26-23(27-25(28-24)31-2)18-8-7-17-11-15-5-3-4-6-16(15)12-19(17)13-18/h3-16,33H,1-2H3;3-14,31H,1-2H3;3*3-14,29H,1-2H3
InChIKeyVMHDWFCHBQBDNN-UHFFFAOYSA-N
MW2121.31 g/mol
LogP27.92
Rot. Bonds20

About 2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol

2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol (PubChem CID 165083326) has the molecular formula C131H97N15O15 and a molecular weight of 2121.31 g/mol. Its IUPAC name is 2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol
PubChem CID165083326
Molecular FormulaC131H97N15O15
Molecular Weight2121.31 g/mol
Exact Mass2119.73
IUPAC Name2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol
SMILESCOc1ccc(-c2nc(OC)nc(-c3c4ccccc4cc4ccccc34)n2)c(O)c1.COc1ccc(-c2nc(OC)nc(-c3cc4c5ccccc5ccc4c4ccccc34)n2)c(O)c1.COc1ccc(-c2nc(OC)nc(-c3cc4ccccc4c4ccccc34)n2)c(O)c1.COc1ccc(-c2nc(OC)nc(-c3ccc4cc5ccccc5cc4c3)n2)c(O)c1.COc1ccc(-c2nc(OC)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)c(O)c1
InChIInChI=1S/C29H21N3O3.C27H19N3O3.3C25H19N3O3/c1-34-18-12-14-23(26(33)15-18)27-30-28(32-29(31-27)35-2)25-16-24-19-8-4-3-7-17(19)11-13-22(24)20-9-5-6-10-21(20)25;1-32-18-10-13-21(22(31)14-18)26-28-25(29-27(30-26)33-2)20-12-9-17-7-6-15-4-3-5-16-8-11-19(20)24(17)23(15)16;1-30-17-11-12-20(21(29)14-17)23-26-24(28-25(27-23)31-2)22-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)22;1-30-16-11-12-20(22(29)14-16)23-26-24(28-25(27-23)31-2)21-13-15-7-3-4-8-17(15)18-9-5-6-10-19(18)21;1-30-20-9-10-21(22(29)14-20)24-26-23(27-25(28-24)31-2)18-8-7-17-11-15-5-3-4-6-16(15)12-19(17)13-18/h3-16,33H,1-2H3;3-14,31H,1-2H3;3*3-14,29H,1-2H3
InChIKeyVMHDWFCHBQBDNN-UHFFFAOYSA-N
XLogP27.92
TPSA386.80 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002121.31
LogP ≤ 527.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-anthracen-2-yl-6-ethoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-chrysen-6-yl-6-ethoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 165073062
4-(4-anthracen-9-yl-6-propoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;4-(4-chrysen-6-yl-6-propoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;4-(4-phenanthren-9-yl-6-propoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;4-(4-propoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 165062535
2-(4-anthracen-2-yl-6-hexoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-anthracen-9-yl-6-hexoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-chrysen-6-yl-6-hexoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-hexoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 165028319
2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-ethoxyphenol;2-[4-chrysen-6-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-ethoxyphenol;5-ethoxy-2-(4-ethoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol
CID 165071742
2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]benzene-1,3,5-triol;2-[4-chrysen-6-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]benzene-1,3,5-triol;2-(4-dodecoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)benzene-1,3,5-triol;2-(4-dodecoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)benzene-1,3,5-triol
CID 164970896
2-(4-anthracen-9-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-chrysen-6-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-cyclopentyloxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-cyclopentyloxy-6-pyren-1-yl-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 165013526
2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol
CID 165067142
2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)benzene-1,3,5-triol
CID 164768650
4-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 164768815
2-(4-anthracen-2-yl-6-propoxypyrimidin-2-yl)phenol;2-(4-anthracen-9-yl-6-propoxypyrimidin-2-yl)phenol;2-(4-chrysen-6-yl-6-propoxypyrimidin-2-yl)phenol;2-(4-phenanthren-9-yl-6-propoxypyrimidin-2-yl)phenol;2-(4-propoxy-6-pyren-1-ylpyrimidin-2-yl)phenol
CID 164954890
2-(4-chloro-6-phenanthren-9-yl-1,3,5-triazin-2-yl)-5-methoxybenzene-1,3-diol;2,4-dichloro-6-phenanthren-9-yl-1,3,5-triazine;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 165067957
2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol
CID 164768740

Frequently Asked Questions

What is the IUPAC name of 2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol?
The IUPAC name of 2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol (CID 165083326) is 2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol.
What is the SMILES notation for 2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol?
The canonical SMILES for 2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol is COc1ccc(-c2nc(OC)nc(-c3c4ccccc4cc4ccccc34)n2)c(O)c1.COc1ccc(-c2nc(OC)nc(-c3cc4c5ccccc5ccc4c4ccccc34)n2)c(O)c1.COc1ccc(-c2nc(OC)nc(-c3cc4ccccc4c4ccccc34)n2)c(O)c1.COc1ccc(-c2nc(OC)nc(-c3ccc4cc5ccccc5cc4c3)n2)c(O)c1.COc1ccc(-c2nc(OC)nc(-c3ccc4ccc5cccc6ccc3c4c56)n2)c(O)c1.
What is the InChIKey of 2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol?
The InChIKey is VMHDWFCHBQBDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O3.C27H19N3O3.3C25H19N3O3/c1-34-18-12-14-23(26(33)15-18)27-30-28(32-29(31-27)35-2)25-16-24-19-8-4-3-7-17(19)11-13-22(24)20-9-5-6-10-21(20)25;1-32-18-10-13-21(22(31)14-18)26-28-25(29-27(30-26)33-2)20-12-9-17-7-6-15-4-3-5-16-8-11-19(20)24(17)23(15)16;1-30-17-11-12-20(21(29)14-17)23-26-24(28-25(27-23)31-2)22-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)22;1-30-16-11-12-20(22(29)14-16)23-26-24(28-25(27-23)31-2)21-13-15-7-3-4-8-17(15)18-9-5-6-10-19(18)21;1-30-20-9-10-21(22(29)14-20)24-26-23(27-25(28-24)31-2)18-8-7-17-11-15-5-3-4-6-16(15)12-19(17)13-18/h3-16,33H,1-2H3;3-14,31H,1-2H3;3*3-14,29H,1-2H3.
What are the key properties of 2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol?
2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol has a molecular weight of 2121.31 g/mol, XLogP of 27.92, 20 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol is sourced from PubChem (CID 165083326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).