1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole

C27H21N3 — CID 130289066

IUPAC1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
SMILESCc1cccc(-n2nc(-c3cccc(-c4ccccc4)c3)nc2-c2ccccc2)c1
InChIInChI=1S/C27H21N3/c1-20-10-8-17-25(18-20)30-27(22-13-6-3-7-14-22)28-26(29-30)24-16-9-15-23(19-24)21-11-4-2-5-12-21/h2-19H,1H3
InChIKeyRHHQILLRYNCABK-UHFFFAOYSA-N
MW387.49 g/mol
LogP6.58
Rot. Bonds4

About 1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole

1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole (PubChem CID 130289066) has the molecular formula C27H21N3 and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
PubChem CID130289066
Molecular FormulaC27H21N3
Molecular Weight387.49 g/mol
Exact Mass387.17
IUPAC Name1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
SMILESCc1cccc(-n2nc(-c3cccc(-c4ccccc4)c3)nc2-c2ccccc2)c1
InChIInChI=1S/C27H21N3/c1-20-10-8-17-25(18-20)30-27(22-13-6-3-7-14-22)28-26(29-30)24-16-9-15-23(19-24)21-11-4-2-5-12-21/h2-19H,1H3
InChIKeyRHHQILLRYNCABK-UHFFFAOYSA-N
XLogP6.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diphenyl-4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]aniline
CID 59499896
2-[3-(3-methylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129263613
N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
CID 46987299
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-3,6-bis(3-phenylphenyl)carbazole;9-[4-[5-(4-naphthalen-2-ylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
CID 159980819
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
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
1-[4-[(E)-2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]ethenyl]phenyl]-3,5-diphenyl-1,2,4-triazole
CID 89201714
1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole
CID 71029156
2-[4-[4-[4,6-bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 20652059

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole?
The IUPAC name of 1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole (CID 130289066) is 1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole is Cc1cccc(-n2nc(-c3cccc(-c4ccccc4)c3)nc2-c2ccccc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole?
The InChIKey is RHHQILLRYNCABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3/c1-20-10-8-17-25(18-20)30-27(22-13-6-3-7-14-22)28-26(29-30)24-16-9-15-23(19-24)21-11-4-2-5-12-21/h2-19H,1H3.
What are the key properties of 1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole?
1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole has a molecular weight of 387.49 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole is sourced from PubChem (CID 130289066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).