2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine

C57H37N3O — CID 138691606

IUPAC2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C57H37N3O/c1-6-18-38(19-7-1)48-37-49(53(41-22-10-3-11-23-41)54(42-24-12-4-13-25-42)52(48)40-20-8-2-9-21-40)39-30-32-44(33-31-39)56-58-55(43-26-14-5-15-27-43)59-57(60-56)45-34-35-47-46-28-16-17-29-50(46)61-51(47)36-45/h1-37H
InChIKeyUTLCDZRRVMQUKT-UHFFFAOYSA-N
MW779.94 g/mol
LogP15.11
Rot. Bonds8

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

2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 138691606) has the molecular formula C57H37N3O and a molecular weight of 779.94 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
PubChem CID138691606
Molecular FormulaC57H37N3O
Molecular Weight779.94 g/mol
Exact Mass779.29
IUPAC Name2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C57H37N3O/c1-6-18-38(19-7-1)48-37-49(53(41-22-10-3-11-23-41)54(42-24-12-4-13-25-42)52(48)40-20-8-2-9-21-40)39-30-32-44(33-31-39)56-58-55(43-26-14-5-15-27-43)59-57(60-56)45-34-35-47-46-28-16-17-29-50(46)61-51(47)36-45/h1-37H
InChIKeyUTLCDZRRVMQUKT-UHFFFAOYSA-N
XLogP15.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 138691591
2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 138691594
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 155441081
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-(4-dibenzofuran-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251319
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817
2-(10-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166925810
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine (CID 138691606) is 2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4cc(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is UTLCDZRRVMQUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3O/c1-6-18-38(19-7-1)48-37-49(53(41-22-10-3-11-23-41)54(42-24-12-4-13-25-42)52(48)40-20-8-2-9-21-40)39-30-32-44(33-31-39)56-58-55(43-26-14-5-15-27-43)59-57(60-56)45-34-35-47-46-28-16-17-29-50(46)61-51(47)36-45/h1-37H.
What are the key properties of 2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine?
2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 779.94 g/mol, XLogP of 15.11, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 138691606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).