2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine

C21H14ClN3O — CID 118888315

IUPAC2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine
SMILESClC1=NC(c2ccccc2)N=C(c2cccc3oc4ccccc4c23)N1
InChIInChI=1S/C21H14ClN3O/c22-21-24-19(13-7-2-1-3-8-13)23-20(25-21)15-10-6-12-17-18(15)14-9-4-5-11-16(14)26-17/h1-12,19H,(H,23,24,25)
InChIKeyVWLZZRCWHDHZHB-UHFFFAOYSA-N
MW359.82 g/mol
LogP5.23
Rot. Bonds2

About 2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine

2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 118888315) has the molecular formula C21H14ClN3O and a molecular weight of 359.82 g/mol. Its IUPAC name is 2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine
PubChem CID118888315
Molecular FormulaC21H14ClN3O
Molecular Weight359.82 g/mol
Exact Mass359.08
IUPAC Name2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine
SMILESClC1=NC(c2ccccc2)N=C(c2cccc3oc4ccccc4c23)N1
InChIInChI=1S/C21H14ClN3O/c22-21-24-19(13-7-2-1-3-8-13)23-20(25-21)15-10-6-12-17-18(15)14-9-4-5-11-16(14)26-17/h1-12,19H,(H,23,24,25)
InChIKeyVWLZZRCWHDHZHB-UHFFFAOYSA-N
XLogP5.23
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.82
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine 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

2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704
2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030218
(4R)-2-chloro-4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 146489534
5-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166915553
7-(6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915507
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine (CID 118888315) is 2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine is ClC1=NC(c2ccccc2)N=C(c2cccc3oc4ccccc4c23)N1.
What is the InChIKey of 2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is VWLZZRCWHDHZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O/c22-21-24-19(13-7-2-1-3-8-13)23-20(25-21)15-10-6-12-17-18(15)14-9-4-5-11-16(14)26-17/h1-12,19H,(H,23,24,25).
What are the key properties of 2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine?
2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 359.82 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-dibenzofuran-1-yl-4-phenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 118888315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).