4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole

C23H16N6 — CID 139213435

IUPAC4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole
SMILESc1ccc(-c2cn(-c3ccc4c(c3)Cc3cc(-n5ccnn5)ccc3-4)nn2)cc1
InChIInChI=1S/C23H16N6/c1-2-4-16(5-3-1)23-15-29(27-25-23)20-7-9-22-18(14-20)12-17-13-19(6-8-21(17)22)28-11-10-24-26-28/h1-11,13-15H,12H2
InChIKeyZWBSPGPVYMBJEI-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.09
Rot. Bonds3

About 4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole

4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole (PubChem CID 139213435) has the molecular formula C23H16N6 and a molecular weight of 376.42 g/mol. Its IUPAC name is 4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole.

Molecular Properties

Compound Name4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole
PubChem CID139213435
Molecular FormulaC23H16N6
Molecular Weight376.42 g/mol
Exact Mass376.14
IUPAC Name4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole
SMILESc1ccc(-c2cn(-c3ccc4c(c3)Cc3cc(-n5ccnn5)ccc3-4)nn2)cc1
InChIInChI=1S/C23H16N6/c1-2-4-16(5-3-1)23-15-29(27-25-23)20-7-9-22-18(14-20)12-17-13-19(6-8-21(17)22)28-11-10-24-26-28/h1-11,13-15H,12H2
InChIKeyZWBSPGPVYMBJEI-UHFFFAOYSA-N
XLogP4.09
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,5-dihexylphenyl)-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole
CID 139213436
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CID 175322203
1-phenyl-4-(4-phenylphenyl)triazole
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[4-(4-phenyltriazol-1-yl)phenyl]borane
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4-phenyl-1-[4-[3,5,7-tris[4-(4-phenyltriazol-1-yl)phenyl]-1-adamantyl]phenyl]triazole
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pentafluoro-[4-(4-phenyltriazol-1-yl)phenyl]-λ6-sulfane
CID 102367699
[4-(4-phenyltriazol-1-yl)phenyl]methanediol
CID 140682391
4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 162662895
7-(triazol-1-yl)-1H-isochromen-4-one
CID 176898516
4-phenyl-1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)triazole
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4-[4-(4-phenyltriazol-1-yl)phenyl]benzonitrile
CID 102418496
4-(4-bromophenyl)-1-phenyltriazole
CID 58349860

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole?
The IUPAC name of 4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole (CID 139213435) is 4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole.
What is the SMILES notation for 4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole?
The canonical SMILES for 4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole is c1ccc(-c2cn(-c3ccc4c(c3)Cc3cc(-n5ccnn5)ccc3-4)nn2)cc1.
What is the InChIKey of 4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole?
The InChIKey is ZWBSPGPVYMBJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6/c1-2-4-16(5-3-1)23-15-29(27-25-23)20-7-9-22-18(14-20)12-17-13-19(6-8-21(17)22)28-11-10-24-26-28/h1-11,13-15H,12H2.
What are the key properties of 4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole?
4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole has a molecular weight of 376.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[7-(triazol-1-yl)-9H-fluoren-2-yl]triazole is sourced from PubChem (CID 139213435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).