4-anthracen-1-yl-5-phenyltriazine

C23H15N3 — CID 172686741

IUPAC4-anthracen-1-yl-5-phenyltriazine
SMILESc1ccc(-c2cnnnc2-c2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C23H15N3/c1-2-7-16(8-3-1)22-15-24-26-25-23(22)20-12-6-11-19-13-17-9-4-5-10-18(17)14-21(19)20/h1-15H
InChIKeyBDELHFAPLZNDTH-UHFFFAOYSA-N
MW333.39 g/mol
LogP5.51
Rot. Bonds2

About 4-anthracen-1-yl-5-phenyltriazine

4-anthracen-1-yl-5-phenyltriazine (PubChem CID 172686741) has the molecular formula C23H15N3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-anthracen-1-yl-5-phenyltriazine.

Molecular Properties

Compound Name4-anthracen-1-yl-5-phenyltriazine
PubChem CID172686741
Molecular FormulaC23H15N3
Molecular Weight333.39 g/mol
Exact Mass333.13
IUPAC Name4-anthracen-1-yl-5-phenyltriazine
SMILESc1ccc(-c2cnnnc2-c2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C23H15N3/c1-2-7-16(8-3-1)22-15-24-26-25-23(22)20-12-6-11-19-13-17-9-4-5-10-18(17)14-21(19)20/h1-15H
InChIKeyBDELHFAPLZNDTH-UHFFFAOYSA-N
XLogP5.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.39
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-anthracen-1-yl-5-phenyltriazine 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

5-phenyl-4-(2-triphenylen-1-ylphenyl)triazine
CID 166133820
1-(2-phenylphenyl)anthracene
CID 21435778
hydron;1-phenylanthracene
CID 174351162
5-(2-phenylphenyl)-4-(2-triphenylen-1-ylphenyl)triazine
CID 175828130
1-(2,3-diphenylphenyl)anthracene
CID 151584978
11-phenylbenzo[a]anthracene
CID 123665695
4-(4-benzo[a]anthracen-4-ylphenyl)benzo[a]anthracene
CID 59412541
2-deuterio-1-phenylanthracene
CID 162719950
2-phenylanthracen-1-ol
CID 54315343
1,2-diphenylpentacene
CID 22247158
4-anthracen-1-ylaniline
CID 18974595
1-(4-bromophenyl)anthracene
CID 141156344

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-1-yl-5-phenyltriazine?
The IUPAC name of 4-anthracen-1-yl-5-phenyltriazine (CID 172686741) is 4-anthracen-1-yl-5-phenyltriazine.
What is the SMILES notation for 4-anthracen-1-yl-5-phenyltriazine?
The canonical SMILES for 4-anthracen-1-yl-5-phenyltriazine is c1ccc(-c2cnnnc2-c2cccc3cc4ccccc4cc23)cc1.
What is the InChIKey of 4-anthracen-1-yl-5-phenyltriazine?
The InChIKey is BDELHFAPLZNDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3/c1-2-7-16(8-3-1)22-15-24-26-25-23(22)20-12-6-11-19-13-17-9-4-5-10-18(17)14-21(19)20/h1-15H.
What are the key properties of 4-anthracen-1-yl-5-phenyltriazine?
4-anthracen-1-yl-5-phenyltriazine has a molecular weight of 333.39 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-1-yl-5-phenyltriazine is sourced from PubChem (CID 172686741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).