2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

C40H30N4O — CID 144956038

IUPAC2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(C2C=c3c(oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)=CC2)cc1-c1ncccc1C
InChIInChI=1S/C40H30N4O/c1-25-18-19-29(23-32(25)37-26(2)11-10-22-41-37)30-20-21-34-33(24-30)36-31(16-9-17-35(36)45-34)40-43-38(27-12-5-3-6-13-27)42-39(44-40)28-14-7-4-8-15-28/h3-19,21-24,30H,20H2,1-2H3
InChIKeyABDZMNGMZGLFJY-UHFFFAOYSA-N
MW582.71 g/mol
LogP8.05
Rot. Bonds5

About 2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 144956038) has the molecular formula C40H30N4O and a molecular weight of 582.71 g/mol. Its IUPAC name is 2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID144956038
Molecular FormulaC40H30N4O
Molecular Weight582.71 g/mol
Exact Mass582.24
IUPAC Name2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1ccc(C2C=c3c(oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)=CC2)cc1-c1ncccc1C
InChIInChI=1S/C40H30N4O/c1-25-18-19-29(23-32(25)37-26(2)11-10-22-41-37)30-20-21-34-33(24-30)36-31(16-9-17-35(36)45-34)40-43-38(27-12-5-3-6-13-27)42-39(44-40)28-14-7-4-8-15-28/h3-19,21-24,30H,20H2,1-2H3
InChIKeyABDZMNGMZGLFJY-UHFFFAOYSA-N
XLogP8.05
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-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

3-[9-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydrodibenzofuran-2-yl]-9-phenylcarbazole
CID 123309250
2-(2-chlorophenyl)-4-[4-(3-methyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163651654
2-[2-[3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139549064
2-[4-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586970
2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene
CID 176956293
2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine
CID 167113778
2-dibenzofuran-1-yl-4-[6-(2-methylphenyl)naphthalen-2-yl]-6-naphthalen-2-yl-1,3,5-triazine
CID 177112954
2-dibenzofuran-1-yl-4-(5-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731953
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
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
14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-10-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 144955824

Frequently Asked Questions

What is the IUPAC name of 2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 144956038) is 2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is Cc1ccc(C2C=c3c(oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)=CC2)cc1-c1ncccc1C.
What is the InChIKey of 2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ABDZMNGMZGLFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4O/c1-25-18-19-29(23-32(25)37-26(2)11-10-22-41-37)30-20-21-34-33(24-30)36-31(16-9-17-35(36)45-34)40-43-38(27-12-5-3-6-13-27)42-39(44-40)28-14-7-4-8-15-28/h3-19,21-24,30H,20H2,1-2H3.
What are the key properties of 2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 582.71 g/mol, XLogP of 8.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[4-methyl-3-(3-methyl-2-pyridinyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 144956038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).