2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine

C57H35N3O2 — CID 163803934

IUPAC2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c45)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C57H35N3O2/c1-4-14-36(15-5-1)39-26-28-40(29-27-39)55-58-56(60-57(59-55)49-23-12-22-47-46-20-10-11-24-50(46)62-54(47)49)41-30-31-48-52(35-41)61-51-25-13-21-45(53(48)51)44-33-42(37-16-6-2-7-17-37)32-43(34-44)38-18-8-3-9-19-38/h1-35H
InChIKeyNHJCOCJULLFDKG-UHFFFAOYSA-N
MW793.93 g/mol
LogP15.34
Rot. Bonds7

About 2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 163803934) has the molecular formula C57H35N3O2 and a molecular weight of 793.93 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID163803934
Molecular FormulaC57H35N3O2
Molecular Weight793.93 g/mol
Exact Mass793.27
IUPAC Name2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c45)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C57H35N3O2/c1-4-14-36(15-5-1)39-26-28-40(29-27-39)55-58-56(60-57(59-55)49-23-12-22-47-46-20-10-11-24-50(46)62-54(47)49)41-30-31-48-52(35-41)61-51-25-13-21-45(53(48)51)44-33-42(37-16-6-2-7-17-37)32-43(34-44)38-18-8-3-9-19-38/h1-35H
InChIKeyNHJCOCJULLFDKG-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-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
2-dibenzofuran-3-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166952205
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
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377329
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170186979
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-dibenzofuran-1-ylphenyl)-1,3,5-triazine
CID 157059283
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378467
2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 167655818
2-[6-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170364256

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 163803934) is 2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c45)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is NHJCOCJULLFDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O2/c1-4-14-36(15-5-1)39-26-28-40(29-27-39)55-58-56(60-57(59-55)49-23-12-22-47-46-20-10-11-24-50(46)62-54(47)49)41-30-31-48-52(35-41)61-51-25-13-21-45(53(48)51)44-33-42(37-16-6-2-7-17-37)32-43(34-44)38-18-8-3-9-19-38/h1-35H.
What are the key properties of 2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-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-dibenzofuran-4-yl-4-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163803934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).