7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine

C22H17N3 — CID 123439706

IUPAC7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
SMILESCc1ccc(-c2nnc3c4ccccc4c4cc(C)ccc4n23)cc1
InChIInChI=1S/C22H17N3/c1-14-7-10-16(11-8-14)21-23-24-22-18-6-4-3-5-17(18)19-13-15(2)9-12-20(19)25(21)22/h3-13H,1-2H3
InChIKeyDWMLIARQKHMESW-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.32
Rot. Bonds1

About 7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine

7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine (PubChem CID 123439706) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine.

Molecular Properties

Compound Name7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
PubChem CID123439706
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
SMILESCc1ccc(-c2nnc3c4ccccc4c4cc(C)ccc4n23)cc1
InChIInChI=1S/C22H17N3/c1-14-7-10-16(11-8-14)21-23-24-22-18-6-4-3-5-17(18)19-13-15(2)9-12-20(19)25(21)22/h3-13H,1-2H3
InChIKeyDWMLIARQKHMESW-UHFFFAOYSA-N
XLogP5.32
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 123627943
3-[4-(2,8-dimethyldibenzothiophen-4-yl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068786
3-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068788
3-(4-iodophenyl)-7-(2-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068777
3-(4-bromophenyl)-7-ethyl-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068576
7-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-3-phenyl-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068572
7-(9,9-diphenylfluoren-2-yl)-3-(4-iodophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58069032
7-methyl-2-[2-(7-methyl-3-phenylimidazo[1,2-f]phenanthridin-2-yl)ethyl]-3-phenylimidazo[1,2-f]phenanthridine
CID 58202831
3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 123982801
3-(2,4-dimethylphenyl)-7-[3-(2,4-dimethylphenyl)-10,12-dimethyl-[1,2,4]triazolo[4,3-f]phenanthridin-7-yl]-10,12-dimethyl-[1,2,4]triazolo[4,3-f]phenanthridine
CID 163481587
7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58163242
7-bromo-3-(9,9-diphenylfluoren-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068831

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The IUPAC name of 7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine (CID 123439706) is 7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine.
What is the SMILES notation for 7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The canonical SMILES for 7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine is Cc1ccc(-c2nnc3c4ccccc4c4cc(C)ccc4n23)cc1.
What is the InChIKey of 7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The InChIKey is DWMLIARQKHMESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-14-7-10-16(11-8-14)21-23-24-22-18-6-4-3-5-17(18)19-13-15(2)9-12-20(19)25(21)22/h3-13H,1-2H3.
What are the key properties of 7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine?
7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine has a molecular weight of 323.40 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine is sourced from PubChem (CID 123439706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).