3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine

C25H17N3 — CID 123982801

IUPAC3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine
SMILESCc1ccc(-c2nnc3c4ccccc4c4ccccc4n23)c2ccccc12
InChIInChI=1S/C25H17N3/c1-16-14-15-22(18-9-3-2-8-17(16)18)25-27-26-24-21-12-5-4-10-19(21)20-11-6-7-13-23(20)28(24)25/h2-15H,1H3
InChIKeyZHPSTBBSVAHIQG-UHFFFAOYSA-N
MW359.43 g/mol
LogP6.16
Rot. Bonds1

About 3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine

3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine (PubChem CID 123982801) has the molecular formula C25H17N3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine.

Molecular Properties

Compound Name3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine
PubChem CID123982801
Molecular FormulaC25H17N3
Molecular Weight359.43 g/mol
Exact Mass359.14
IUPAC Name3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine
SMILESCc1ccc(-c2nnc3c4ccccc4c4ccccc4n23)c2ccccc12
InChIInChI=1S/C25H17N3/c1-16-14-15-22(18-9-3-2-8-17(16)18)25-27-26-24-21-12-5-4-10-19(21)20-11-6-7-13-23(20)28(24)25/h2-15H,1H3
InChIKeyZHPSTBBSVAHIQG-UHFFFAOYSA-N
XLogP6.16
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 56.16
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

N,N-diphenyl-2-([1,2,4]triazolo[4,3-f]phenanthridin-3-yl)aniline
CID 170530735
3-(4-dibenzofuran-4-yl-2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068486
7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 123439706
3-(4-methylphenyl)-7-(2,4,6-trimethylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 123627943
3-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068414
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068624
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-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(5-bromonaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(7-bromonaphthalen-2-yl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(2-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(3-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;3-(4-bromophenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 160511540
3-(4-iodophenyl)-7-(2-phenylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068777
3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58162639
3-(3-dibenzothiophen-4-ylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine;methane
CID 157421911

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The IUPAC name of 3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine (CID 123982801) is 3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine.
What is the SMILES notation for 3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The canonical SMILES for 3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine is Cc1ccc(-c2nnc3c4ccccc4c4ccccc4n23)c2ccccc12.
What is the InChIKey of 3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine?
The InChIKey is ZHPSTBBSVAHIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3/c1-16-14-15-22(18-9-3-2-8-17(16)18)25-27-26-24-21-12-5-4-10-19(21)20-11-6-7-13-23(20)28(24)25/h2-15H,1H3.
What are the key properties of 3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine?
3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine has a molecular weight of 359.43 g/mol, XLogP of 6.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine is sourced from PubChem (CID 123982801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).