4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole

C24H23N3O4 — CID 59430230

IUPAC4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
SMILESCOc1ccc(-c2ccc(-c3n[nH]nc3-c3cc(OC)c(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C24H23N3O4/c1-28-19-11-9-16(10-12-19)15-5-7-17(8-6-15)22-23(26-27-25-22)18-13-20(29-2)24(31-4)21(14-18)30-3/h5-14H,1-4H3,(H,25,26,27)
InChIKeyDLCLGNDFPKLBGG-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.84
Rot. Bonds7

About 4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole

4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole (PubChem CID 59430230) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
PubChem CID59430230
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
SMILESCOc1ccc(-c2ccc(-c3n[nH]nc3-c3cc(OC)c(OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C24H23N3O4/c1-28-19-11-9-16(10-12-19)15-5-7-17(8-6-15)22-23(26-27-25-22)18-13-20(29-2)24(31-4)21(14-18)30-3/h5-14H,1-4H3,(H,25,26,27)
InChIKeyDLCLGNDFPKLBGG-UHFFFAOYSA-N
XLogP4.84
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

sodium 4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenolate
CID 66678861
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]pyridine
CID 54612886
2-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]pyridine
CID 59430270
1-methyl-5-[4-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]tetrazole
CID 59430243
4-(4-methoxyphenyl)-5-(3,4,5-triethylphenyl)-2H-triazole
CID 59430286
1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone
CID 59430178
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine
CID 126672991
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-amine
CID 132548516
4-(4-ethoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole
CID 59430225
sodium;hydride;[5-methoxy-2-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl] dihydrogen phosphate
CID 173007649
4-(4-butoxyphenyl)-5-(2,3,4,5-tetramethoxyphenyl)-2H-triazole
CID 59430339

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole?
The IUPAC name of 4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole (CID 59430230) is 4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole?
The canonical SMILES for 4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole is COc1ccc(-c2ccc(-c3n[nH]nc3-c3cc(OC)c(OC)c(OC)c3)cc2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole?
The InChIKey is DLCLGNDFPKLBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-28-19-11-9-16(10-12-19)15-5-7-17(8-6-15)22-23(26-27-25-22)18-13-20(29-2)24(31-4)21(14-18)30-3/h5-14H,1-4H3,(H,25,26,27).
What are the key properties of 4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole?
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole has a molecular weight of 417.47 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole is sourced from PubChem (CID 59430230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).