ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol

C78H65N11O11 — CID 159906215

IUPACethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol
SMILESCCOC(=O)c1ccc(Nc2nc(-c3ccc(OC)cc3)nc(-c3ccc(OC)cc3)n2)cc1.COC(=O)c1ccc(Nc2nc(-c3ccc(OC)cc3O)nc(-c3ccc(OC)cc3O)n2)cc1.Oc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H19N3O.C26H24N4O4.C25H22N4O6/c31-24-14-8-7-13-23(24)27-29-25(21-11-5-2-6-12-21)28-26(30-27)22-17-15-20(16-18-22)19-9-3-1-4-10-19;1-4-34-25(31)19-5-11-20(12-6-19)27-26-29-23(17-7-13-21(32-2)14-8-17)28-24(30-26)18-9-15-22(33-3)16-10-18;1-33-16-8-10-18(20(30)12-16)22-27-23(19-11-9-17(34-2)13-21(19)31)29-25(28-22)26-15-6-4-14(5-7-15)24(32)35-3/h1-18,31H;5-16H,4H2,1-3H3,(H,27,28,29,30);4-13,30-31H,1-3H3,(H,26,27,28,29)
InChIKeyNWPITBXKDJNHTJ-UHFFFAOYSA-N
MW1332.44 g/mol
LogP15.55
Rot. Bonds19

About ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol

ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol (PubChem CID 159906215) has the molecular formula C78H65N11O11 and a molecular weight of 1332.44 g/mol. Its IUPAC name is ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol.

Molecular Properties

Compound Nameethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol
PubChem CID159906215
Molecular FormulaC78H65N11O11
Molecular Weight1332.44 g/mol
Exact Mass1331.49
IUPAC Nameethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol
SMILESCCOC(=O)c1ccc(Nc2nc(-c3ccc(OC)cc3)nc(-c3ccc(OC)cc3)n2)cc1.COC(=O)c1ccc(Nc2nc(-c3ccc(OC)cc3O)nc(-c3ccc(OC)cc3O)n2)cc1.Oc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H19N3O.C26H24N4O4.C25H22N4O6/c31-24-14-8-7-13-23(24)27-29-25(21-11-5-2-6-12-21)28-26(30-27)22-17-15-20(16-18-22)19-9-3-1-4-10-19;1-4-34-25(31)19-5-11-20(12-6-19)27-26-29-23(17-7-13-21(32-2)14-8-17)28-24(30-26)18-9-15-22(33-3)16-10-18;1-33-16-8-10-18(20(30)12-16)22-27-23(19-11-9-17(34-2)13-21(19)31)29-25(28-22)26-15-6-4-14(5-7-15)24(32)35-3/h1-18,31H;5-16H,4H2,1-3H3,(H,27,28,29,30);4-13,30-31H,1-3H3,(H,26,27,28,29)
InChIKeyNWPITBXKDJNHTJ-UHFFFAOYSA-N
XLogP15.55
TPSA290.28 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001332.44
LogP ≤ 515.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-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-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
CID 136603035
ethyl 4-[[4,6-bis(4-dodecoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate
CID 136642944
5-methoxy-2-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 143220402
ethyl 4-[[4,6-bis[2-hydroxy-4-(2-hydroxy-3-propan-2-yloxypropoxy)phenyl]-1,3,5-triazin-2-yl]amino]benzoate
CID 135484163
ethyl 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]benzoate
CID 86729978
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278
methyl 2-[3-hydroxy-4-[4-[2-hydroxy-4-(1-methoxy-1-oxobutan-2-yl)oxyphenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]butanoate
CID 169156362
ethyl 4-[(5-nitro-4,6-diphenylpyrimidin-2-yl)amino]benzoate
CID 12025852
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]pentan-3-one
CID 165088688
4-[4-(2-hydroxy-4-methoxyphenyl)-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 136946080
ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
CID 756815
anisole;methyl 4-methoxybenzoate
CID 158093995

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol?
The IUPAC name of ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol (CID 159906215) is ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol.
What is the SMILES notation for ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol?
The canonical SMILES for ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol is CCOC(=O)c1ccc(Nc2nc(-c3ccc(OC)cc3)nc(-c3ccc(OC)cc3)n2)cc1.COC(=O)c1ccc(Nc2nc(-c3ccc(OC)cc3O)nc(-c3ccc(OC)cc3O)n2)cc1.Oc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol?
The InChIKey is NWPITBXKDJNHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O.C26H24N4O4.C25H22N4O6/c31-24-14-8-7-13-23(24)27-29-25(21-11-5-2-6-12-21)28-26(30-27)22-17-15-20(16-18-22)19-9-3-1-4-10-19;1-4-34-25(31)19-5-11-20(12-6-19)27-26-29-23(17-7-13-21(32-2)14-8-17)28-24(30-26)18-9-15-22(33-3)16-10-18;1-33-16-8-10-18(20(30)12-16)22-27-23(19-11-9-17(34-2)13-21(19)31)29-25(28-22)26-15-6-4-14(5-7-15)24(32)35-3/h1-18,31H;5-16H,4H2,1-3H3,(H,27,28,29,30);4-13,30-31H,1-3H3,(H,26,27,28,29).
What are the key properties of ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol?
ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol has a molecular weight of 1332.44 g/mol, XLogP of 15.55, 19 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;methyl 4-[[4,6-bis(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]amino]benzoate;2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 159906215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).