2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine

C57H35N3O2 — CID 139303458

IUPAC2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc(-c6cccc7oc8ccccc8c67)c5)cc4)nc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)n3)c2)cc1
InChIInChI=1S/C57H35N3O2/c1-2-13-36(14-3-1)40-16-9-19-43(34-40)56-58-55(59-57(60-56)44-20-10-18-42(35-44)46-24-12-28-52-54(46)48-22-5-7-26-50(48)62-52)38-31-29-37(30-32-38)39-15-8-17-41(33-39)45-23-11-27-51-53(45)47-21-4-6-25-49(47)61-51/h1-35H
InChIKeyQWUVDKBSYSEHSB-UHFFFAOYSA-N
MW793.93 g/mol
LogP15.34
Rot. Bonds7

About 2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine

2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 139303458) has the molecular formula C57H35N3O2 and a molecular weight of 793.93 g/mol. Its IUPAC name is 2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID139303458
Molecular FormulaC57H35N3O2
Molecular Weight793.93 g/mol
Exact Mass793.27
IUPAC Name2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc(-c6cccc7oc8ccccc8c67)c5)cc4)nc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)n3)c2)cc1
InChIInChI=1S/C57H35N3O2/c1-2-13-36(14-3-1)40-16-9-19-43(34-40)56-58-55(59-57(60-56)44-20-10-18-42(35-44)46-24-12-28-52-54(46)48-22-5-7-26-50(48)62-52)38-31-29-37(30-32-38)39-15-8-17-41(33-39)45-23-11-27-51-53(45)47-21-4-6-25-49(47)61-51/h1-35H
InChIKeyQWUVDKBSYSEHSB-UHFFFAOYSA-N
XLogP15.34
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.93
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-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-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447
2-[10-(3-dibenzofuran-1-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925668
4-(3-dibenzofuran-1-ylphenyl)-2-(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine
CID 139304968
2-(3-dibenzofuran-1-ylphenyl)-4-(6-naphthalen-2-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016833
2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442533
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-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741628

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 139303458) is 2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc(-c6cccc7oc8ccccc8c67)c5)cc4)nc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)n3)c2)cc1.
What is the InChIKey of 2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is QWUVDKBSYSEHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O2/c1-2-13-36(14-3-1)40-16-9-19-43(34-40)56-58-55(59-57(60-56)44-20-10-18-42(35-44)46-24-12-28-52-54(46)48-22-5-7-26-50(48)62-52)38-31-29-37(30-32-38)39-15-8-17-41(33-39)45-23-11-27-51-53(45)47-21-4-6-25-49(47)61-51/h1-35H.
What are the key properties of 2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 793.93 g/mol, XLogP of 15.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 139303458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).