5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine

C48H28N4O2 — CID 168785670

IUPAC5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc34)nc(-c3cccc4oc5ncccc5c34)n2)cc1
InChIInChI=1S/C48H28N4O2/c1-2-11-31(12-3-1)45-50-46(52-47(51-45)38-17-9-21-42-44(38)39-18-10-28-49-48(39)54-42)36-27-26-32(34-13-4-5-14-35(34)36)29-22-24-30(25-23-29)33-16-8-20-41-43(33)37-15-6-7-19-40(37)53-41/h1-28H
InChIKeyLXVHVLJHJRTCEQ-UHFFFAOYSA-N
MW692.78 g/mol
LogP12.55
Rot. Bonds5

About 5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine

5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 168785670) has the molecular formula C48H28N4O2 and a molecular weight of 692.78 g/mol. Its IUPAC name is 5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID168785670
Molecular FormulaC48H28N4O2
Molecular Weight692.78 g/mol
Exact Mass692.22
IUPAC Name5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc34)nc(-c3cccc4oc5ncccc5c34)n2)cc1
InChIInChI=1S/C48H28N4O2/c1-2-11-31(12-3-1)45-50-46(52-47(51-45)38-17-9-21-42-44(38)39-18-10-28-49-48(39)54-42)36-27-26-32(34-13-4-5-14-35(34)36)29-22-24-30(25-23-29)33-16-8-20-41-43(33)37-15-6-7-19-40(37)53-41/h1-28H
InChIKeyLXVHVLJHJRTCEQ-UHFFFAOYSA-N
XLogP12.55
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.78
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine 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

4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 168785394
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
9-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 168784979
5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-naphthalen-2-yl-[1]benzofuro[2,3-b]pyridine
CID 168785698
5-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 168784897
5-(4-benzo[g]phenanthren-4-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 168785356
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 163838027
2-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 165090138
2-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942372
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine (CID 168785670) is 5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc34)nc(-c3cccc4oc5ncccc5c34)n2)cc1.
What is the InChIKey of 5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is LXVHVLJHJRTCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O2/c1-2-11-31(12-3-1)45-50-46(52-47(51-45)38-17-9-21-42-44(38)39-18-10-28-49-48(39)54-42)36-27-26-32(34-13-4-5-14-35(34)36)29-22-24-30(25-23-29)33-16-8-20-41-43(33)37-15-6-7-19-40(37)53-41/h1-28H.
What are the key properties of 5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine?
5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 692.78 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 168785670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).