1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole

C27H19N3 — CID 58037472

IUPAC1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(-c3ccc4c(c3)-c3ccccc3C4)n2)cc1
InChIInChI=1S/C27H19N3/c1-3-9-19(10-4-1)26-28-27(20-11-5-2-6-12-20)30(29-26)23-16-15-22-17-21-13-7-8-14-24(21)25(22)18-23/h1-16,18H,17H2
InChIKeyLRJLKTJKOANFQS-UHFFFAOYSA-N
MW385.47 g/mol
LogP6.17
Rot. Bonds3

About 1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole

1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole (PubChem CID 58037472) has the molecular formula C27H19N3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole
PubChem CID58037472
Molecular FormulaC27H19N3
Molecular Weight385.47 g/mol
Exact Mass385.16
IUPAC Name1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole
SMILESc1ccc(-c2nc(-c3ccccc3)n(-c3ccc4c(c3)-c3ccccc3C4)n2)cc1
InChIInChI=1S/C27H19N3/c1-3-9-19(10-4-1)26-28-27(20-11-5-2-6-12-20)30(29-26)23-16-15-22-17-21-13-7-8-14-24(21)25(22)18-23/h1-16,18H,17H2
InChIKeyLRJLKTJKOANFQS-UHFFFAOYSA-N
XLogP6.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-Triphenyl-1,2,4-triazole
CID 626762
4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile
CID 618453
3-Biphenyl-4-yl-5-methyl-4-phenyl-4H-1,2,4-triazole
CID 4391207
1H-1,2,4-Triazole, 1,3,5-triphenyl-
CID 563249
4-(2,3-Dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole
CID 71762541
3-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole
CID 11441792
3,5-Diphenyl-4-(1-naphthyl)-1H-1,2,4-triazole
CID 12778948
US9969726, Example 51
CID 130288834
US9969726, Example 63
CID 130288836
US9969726, Example 52
CID 130289125
US9969726, Example 56
CID 130289524
US9969726, Example 49A
CID 130288816

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole?
The IUPAC name of 1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole (CID 58037472) is 1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole is c1ccc(-c2nc(-c3ccccc3)n(-c3ccc4c(c3)-c3ccccc3C4)n2)cc1.
What is the InChIKey of 1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole?
The InChIKey is LRJLKTJKOANFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3/c1-3-9-19(10-4-1)26-28-27(20-11-5-2-6-12-20)30(29-26)23-16-15-22-17-21-13-7-8-14-24(21)25(22)18-23/h1-16,18H,17H2.
What are the key properties of 1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole?
1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole has a molecular weight of 385.47 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-3-yl)-3,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 58037472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).