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

C44H30N4O2 — CID 159444306

IUPAC5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=Cc2c(oc3ccc(-c4cccc(-c5ccccc5)c4)c(C4=NC(c5ccccc5)NC(c5ccc6c(c5)oc5ccccc56)=N4)c23)NC1
InChIInChI=1S/C44H30N4O2/c1-3-11-27(12-4-1)29-15-9-16-30(25-29)32-22-23-37-39(35-18-10-24-45-44(35)50-37)40(32)43-47-41(28-13-5-2-6-14-28)46-42(48-43)31-20-21-34-33-17-7-8-19-36(33)49-38(34)26-31/h1-23,25-26,41,45H,24H2,(H,46,47,48)
InChIKeyLSONNENBTRRFOV-UHFFFAOYSA-N
MW646.75 g/mol
LogP10.60
Rot. Bonds5

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

5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (PubChem CID 159444306) has the molecular formula C44H30N4O2 and a molecular weight of 646.75 g/mol. Its IUPAC name is 5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
PubChem CID159444306
Molecular FormulaC44H30N4O2
Molecular Weight646.75 g/mol
Exact Mass646.24
IUPAC Name5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=Cc2c(oc3ccc(-c4cccc(-c5ccccc5)c4)c(C4=NC(c5ccccc5)NC(c5ccc6c(c5)oc5ccccc56)=N4)c23)NC1
InChIInChI=1S/C44H30N4O2/c1-3-11-27(12-4-1)29-15-9-16-30(25-29)32-22-23-37-39(35-18-10-24-45-44(35)50-37)40(32)43-47-41(28-13-5-2-6-14-28)46-42(48-43)31-20-21-34-33-17-7-8-19-36(33)49-38(34)26-31/h1-23,25-26,41,45H,24H2,(H,46,47,48)
InChIKeyLSONNENBTRRFOV-UHFFFAOYSA-N
XLogP10.60
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.75
LogP ≤ 510.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[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-dibenzofuran-2-yl-2-phenyl-6-[8-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,2-dihydro-1,3,5-triazine
CID 155002341
4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 156575048
4-[2-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 137223943
2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 146407693
6-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167008301
2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 167029717
4-[6-dibenzofuran-2-yl-4-(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574860
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 166961451

Frequently Asked Questions

What is the IUPAC name of 5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (CID 159444306) is 5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is C1=Cc2c(oc3ccc(-c4cccc(-c5ccccc5)c4)c(C4=NC(c5ccccc5)NC(c5ccc6c(c5)oc5ccccc56)=N4)c23)NC1.
What is the InChIKey of 5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The InChIKey is LSONNENBTRRFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O2/c1-3-11-27(12-4-1)29-15-9-16-30(25-29)32-22-23-37-39(35-18-10-24-45-44(35)50-37)40(32)43-47-41(28-13-5-2-6-14-28)46-42(48-43)31-20-21-34-33-17-7-8-19-36(33)49-38(34)26-31/h1-23,25-26,41,45H,24H2,(H,46,47,48).
What are the key properties of 5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine has a molecular weight of 646.75 g/mol, XLogP of 10.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 159444306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).