3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine

C34H23N3O — CID 58068486

IUPAC3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
SMILESCc1cc(-c2nnc3c4ccccc4c4ccccc4n23)c(C)cc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C34H23N3O/c1-20-19-29(21(2)18-28(20)26-15-9-14-25-24-12-6-8-17-31(24)38-32(25)26)34-36-35-33-27-13-4-3-10-22(27)23-11-5-7-16-30(23)37(33)34/h3-19H,1-2H3
InChIKeyXXYHEWVLBFKGCC-UHFFFAOYSA-N
MW489.58 g/mol
LogP8.89
Rot. Bonds2

About 3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine

3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine (PubChem CID 58068486) has the molecular formula C34H23N3O and a molecular weight of 489.58 g/mol. Its IUPAC name is 3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine.

Molecular Properties

Compound Name3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
PubChem CID58068486
Molecular FormulaC34H23N3O
Molecular Weight489.58 g/mol
Exact Mass489.18
IUPAC Name3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
SMILESCc1cc(-c2nnc3c4ccccc4c4ccccc4n23)c(C)cc1-c1cccc2c1oc1ccccc12
InChIInChI=1S/C34H23N3O/c1-20-19-29(21(2)18-28(20)26-15-9-14-25-24-12-6-8-17-31(24)38-32(25)26)34-36-35-33-27-13-4-3-10-22(27)23-11-5-7-16-30(23)37(33)34/h3-19H,1-2H3
InChIKeyXXYHEWVLBFKGCC-UHFFFAOYSA-N
XLogP8.89
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-dibenzofuran-4-ylphenyl)-11-phenyl-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068443
7-(3-carbazol-9-ylphenyl)-3-phenyl-[1,2,4]triazolo[4,3-f]phenanthridine;7-(4-carbazol-9-ylphenyl)-3-phenyl-[1,2,4]triazolo[4,3-f]phenanthridine;7-(2-dibenzofuran-4-ylphenyl)-3-phenyl-[1,2,4]triazolo[4,3-f]phenanthridine;7-(3-dibenzofuran-4-ylphenyl)-3-phenyl-[1,2,4]triazolo[4,3-f]phenanthridine
CID 158914488
7-butyl-3-(4-dibenzofuran-4-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068661
2-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-1-phenylbenzimidazole
CID 58309657
3-(4-dibenzofuran-4-ylphenyl)-2-phenylimidazo[1,2-f]phenanthridine
CID 170530705
3-[4-(2,8-dinaphthalen-1-yldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2,8-dinaphthalen-2-yldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(6-phenyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine;3-[4-(2,6,8-triphenyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine
CID 158912213
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-dibenzofuran-4-ylphenyl)-7-(4-naphthalen-2-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 159150526
3-(4-dibenzofuran-4-ylphenyl)-6-(2-phenylphenyl)-[1,2,4]triazolo[3,4-a]isoquinoline
CID 58068928
9-[6-(6-dibenzofuran-4-yldibenzofuran-4-yl)-2-pyridinyl]carbazole
CID 146266799
4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran
CID 134429033
1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
CID 153447877

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The IUPAC name of 3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine (CID 58068486) is 3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine.
What is the SMILES notation for 3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The canonical SMILES for 3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine is Cc1cc(-c2nnc3c4ccccc4c4ccccc4n23)c(C)cc1-c1cccc2c1oc1ccccc12.
What is the InChIKey of 3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The InChIKey is XXYHEWVLBFKGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O/c1-20-19-29(21(2)18-28(20)26-15-9-14-25-24-12-6-8-17-31(24)38-32(25)26)34-36-35-33-27-13-4-3-10-22(27)23-11-5-7-16-30(23)37(33)34/h3-19H,1-2H3.
What are the key properties of 3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine has a molecular weight of 489.58 g/mol, XLogP of 8.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine is sourced from PubChem (CID 58068486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).