2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine

C51H31N3O — CID 146407681

IUPAC2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccccc5-c5ccc6c7ccccc7c7ccccc7c6c5)cc34)n2)cc1
InChIInChI=1S/C51H31N3O/c1-3-13-32(14-4-1)49-52-50(33-15-5-2-6-16-33)54-51(53-49)36-24-27-44-46-30-35(25-28-47(46)55-48(44)31-36)38-18-8-7-17-37(38)34-23-26-43-41-21-10-9-19-39(41)40-20-11-12-22-42(40)45(43)29-34/h1-31H
InChIKeyPMQDMHFBPHGDDP-UHFFFAOYSA-N
MW701.83 g/mol
LogP13.57
Rot. Bonds5

About 2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine

2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 146407681) has the molecular formula C51H31N3O and a molecular weight of 701.83 g/mol. Its IUPAC name is 2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
PubChem CID146407681
Molecular FormulaC51H31N3O
Molecular Weight701.83 g/mol
Exact Mass701.25
IUPAC Name2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccccc5-c5ccc6c7ccccc7c7ccccc7c6c5)cc34)n2)cc1
InChIInChI=1S/C51H31N3O/c1-3-13-32(14-4-1)49-52-50(33-15-5-2-6-16-33)54-51(53-49)36-24-27-44-46-30-35(25-28-47(46)55-48(44)31-36)38-18-8-7-17-37(38)34-23-26-43-41-21-10-9-19-39(41)40-20-11-12-22-42(40)45(43)29-34/h1-31H
InChIKeyPMQDMHFBPHGDDP-UHFFFAOYSA-N
XLogP13.57
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-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-diphenyl-6-[7-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 154624594
2-[4-[8-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193050
2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 166925795
2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407713
2,4-diphenyl-6-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 158987075
2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402344
2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 163895901
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-(10-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166925810
2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192124
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine (CID 146407681) is 2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccccc5-c5ccc6c7ccccc7c7ccccc7c6c5)cc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The InChIKey is PMQDMHFBPHGDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c1-3-13-32(14-4-1)49-52-50(33-15-5-2-6-16-33)54-51(53-49)36-24-27-44-46-30-35(25-28-47(46)55-48(44)31-36)38-18-8-7-17-37(38)34-23-26-43-41-21-10-9-19-39(41)40-20-11-12-22-42(40)45(43)29-34/h1-31H.
What are the key properties of 2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine has a molecular weight of 701.83 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 146407681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).