6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine

C22H12FN5O — CID 164825399

IUPAC6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine
SMILESFc1ccc2c(c1)oc1c(-c3nc4nnncc4n3-c3ccccc3)cccc12
InChIInChI=1S/C22H12FN5O/c23-13-9-10-15-16-7-4-8-17(20(16)29-19(15)11-13)22-25-21-18(12-24-27-26-21)28(22)14-5-2-1-3-6-14/h1-12H
InChIKeySHCCREGXGQKVMU-UHFFFAOYSA-N
MW381.37 g/mol
LogP4.92
Rot. Bonds2

About 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine

6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine (PubChem CID 164825399) has the molecular formula C22H12FN5O and a molecular weight of 381.37 g/mol. Its IUPAC name is 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine.

Molecular Properties

Compound Name6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine
PubChem CID164825399
Molecular FormulaC22H12FN5O
Molecular Weight381.37 g/mol
Exact Mass381.10
IUPAC Name6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine
SMILESFc1ccc2c(c1)oc1c(-c3nc4nnncc4n3-c3ccccc3)cccc12
InChIInChI=1S/C22H12FN5O/c23-13-9-10-15-16-7-4-8-17(20(16)29-19(15)11-13)22-25-21-18(12-24-27-26-21)28(22)14-5-2-1-3-6-14/h1-12H
InChIKeySHCCREGXGQKVMU-UHFFFAOYSA-N
XLogP4.92
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-phenyl-1-benzofuran-7-yl)-3H-imidazo[4,5-c]pyridine
CID 44534779
5-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942625
5'-(7-Ethyl-7H-imidazo[4,5-c]pyridazin-4-yl)-2'-fluoro-6-methoxy-N,N-dimethylbiphenyl-3-carboxamide
CID 118582680
6-Dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942694
3-(2,3-Dimethyl-1-benzofuran-5-yl)-3H-[1,2,3]triazolo[4,5-b]pyridine
CID 12445483
4-[4-[3-Furyl(phenyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011484
1-[4-(1-Benzofuran-2-yl)phenyl]-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 57960874
2-(4-Fluorophenyl)-3-[3-(3-furyl)phenyl]imidazo[1,2-a]pyridine
CID 71699621
3-[3-(1-Benzofuran-2-yl)phenyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 71699623
1-[(2-Phenyl-1-benzofuran-3-yl)methyl]benzimidazole
CID 71725441
2-butyl-7-methyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]imidazo[4,5-b]pyridine
CID 9847240
3-Methyl-14-oxa-6-aza-3-azoniapentacyclo[11.7.0.02,6.07,12.015,20]icosa-1(13),2,4,7,9,11,15,17,19-nonaene;2,2,2-trifluoroacetate
CID 176435884

Frequently Asked Questions

What is the IUPAC name of 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine?
The IUPAC name of 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine (CID 164825399) is 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine.
What is the SMILES notation for 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine?
The canonical SMILES for 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine is Fc1ccc2c(c1)oc1c(-c3nc4nnncc4n3-c3ccccc3)cccc12.
What is the InChIKey of 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine?
The InChIKey is SHCCREGXGQKVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12FN5O/c23-13-9-10-15-16-7-4-8-17(20(16)29-19(15)11-13)22-25-21-18(12-24-27-26-21)28(22)14-5-2-1-3-6-14/h1-12H.
What are the key properties of 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine?
6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine has a molecular weight of 381.37 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-d]triazine is sourced from PubChem (CID 164825399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).