4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole

C24H20N6 — CID 118532825

IUPAC4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
SMILESCc1cccc(-c2n[nH]nc2-c2cccc(-c3n[nH]nc3-c3cccc(C)c3)c2)c1
InChIInChI=1S/C24H20N6/c1-15-6-3-8-17(12-15)21-23(27-29-25-21)19-10-5-11-20(14-19)24-22(26-30-28-24)18-9-4-7-16(2)13-18/h3-14H,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyMAYYZDHJBFVYRR-UHFFFAOYSA-N
MW392.47 g/mol
LogP5.21
Rot. Bonds4

About 4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole

4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole (PubChem CID 118532825) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole.

Molecular Properties

Compound Name4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
PubChem CID118532825
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC Name4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole
SMILESCc1cccc(-c2n[nH]nc2-c2cccc(-c3n[nH]nc3-c3cccc(C)c3)c2)c1
InChIInChI=1S/C24H20N6/c1-15-6-3-8-17(12-15)21-23(27-29-25-21)19-10-5-11-20(14-19)24-22(26-30-28-24)18-9-4-7-16(2)13-18/h3-14H,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyMAYYZDHJBFVYRR-UHFFFAOYSA-N
XLogP5.21
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylphenyl)-5-(5-methyl-1H-pyrrol-3-yl)-2H-triazole
CID 142183458
1-[5-(3-methylphenyl)-2H-triazol-4-yl]ethanol
CID 117167817
2-methyl-6-[5-[3-[5-(6-methyl-2-pyridinyl)-2H-triazol-4-yl]phenyl]-2H-triazol-4-yl]pyridine
CID 138453473
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
2-iodo-1,3-bis(3-methylphenyl)benzene
CID 170072024
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
4,5-diphenyl-2H-triazole
CID 613500
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole?
The IUPAC name of 4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole (CID 118532825) is 4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole.
What is the SMILES notation for 4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole?
The canonical SMILES for 4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole is Cc1cccc(-c2n[nH]nc2-c2cccc(-c3n[nH]nc3-c3cccc(C)c3)c2)c1.
What is the InChIKey of 4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole?
The InChIKey is MAYYZDHJBFVYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c1-15-6-3-8-17(12-15)21-23(27-29-25-21)19-10-5-11-20(14-19)24-22(26-30-28-24)18-9-4-7-16(2)13-18/h3-14H,1-2H3,(H,25,27,29)(H,26,28,30).
What are the key properties of 4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole?
4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole has a molecular weight of 392.47 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-5-[3-[5-(3-methylphenyl)-2H-triazol-4-yl]phenyl]-2H-triazole is sourced from PubChem (CID 118532825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).