2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene

C30H22BrN3O — CID 142293061

IUPAC2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene
SMILESBrc1ccc2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c2c1.C=CC
InChIInChI=1S/C27H16BrN3O.C3H6/c28-20-12-14-24-22(16-20)21-15-19(11-13-23(21)32-24)27-30-25(17-7-3-1-4-8-17)29-26(31-27)18-9-5-2-6-10-18;1-3-2/h1-16H;3H,1H2,2H3
InChIKeyMZFOAAXOFWICMF-UHFFFAOYSA-N
MW520.43 g/mol
LogP8.73
Rot. Bonds3

About 2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene

2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene (PubChem CID 142293061) has the molecular formula C30H22BrN3O and a molecular weight of 520.43 g/mol. Its IUPAC name is 2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene.

Molecular Properties

Compound Name2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene
PubChem CID142293061
Molecular FormulaC30H22BrN3O
Molecular Weight520.43 g/mol
Exact Mass519.09
IUPAC Name2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene
SMILESBrc1ccc2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c2c1.C=CC
InChIInChI=1S/C27H16BrN3O.C3H6/c28-20-12-14-24-22(16-20)21-15-19(11-13-23(21)32-24)27-30-25(17-7-3-1-4-8-17)29-26(31-27)18-9-5-2-6-10-18;1-3-2/h1-16H;3H,1H2,2H3
InChIKeyMZFOAAXOFWICMF-UHFFFAOYSA-N
XLogP8.73
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.43
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene 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-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147340530
3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 155649676
2-(18-bromo-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 146664441
2-[3-(3-bromophenyl)phenyl]-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 155203519
2-(3-bromophenyl)-4,6-di(dibenzofuran-2-yl)-1,3,5-triazine
CID 156754970
2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-bromodibenzofuran;2-dibenzofuran-3-yl-4-(8-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 158135500
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915

Frequently Asked Questions

What is the IUPAC name of 2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene?
The IUPAC name of 2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene (CID 142293061) is 2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene.
What is the SMILES notation for 2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene?
The canonical SMILES for 2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene is Brc1ccc2oc3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c2c1.C=CC.
What is the InChIKey of 2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene?
The InChIKey is MZFOAAXOFWICMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16BrN3O.C3H6/c28-20-12-14-24-22(16-20)21-15-19(11-13-23(21)32-24)27-30-25(17-7-3-1-4-8-17)29-26(31-27)18-9-5-2-6-10-18;1-3-2/h1-16H;3H,1H2,2H3.
What are the key properties of 2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene?
2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene has a molecular weight of 520.43 g/mol, XLogP of 8.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene is sourced from PubChem (CID 142293061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).