2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine

C57H37N3O — CID 164838484

IUPAC2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc6c5oc5cc(-c7ccccc7)cc(-c7ccccc7)c56)c4)n3)c2)cc1
InChIInChI=1S/C57H37N3O/c1-5-17-38(18-6-1)42-25-13-28-45(33-42)55-58-56(46-29-14-26-43(34-46)39-19-7-2-8-20-39)60-57(59-55)47-30-15-27-44(35-47)49-31-16-32-50-53-51(41-23-11-4-12-24-41)36-48(37-52(53)61-54(49)50)40-21-9-3-10-22-40/h1-37H
InChIKeyVRMKOKDTSMBYFI-UHFFFAOYSA-N
MW779.94 g/mol
LogP15.11
Rot. Bonds8

About 2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine

2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 164838484) has the molecular formula C57H37N3O and a molecular weight of 779.94 g/mol. Its IUPAC name is 2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
PubChem CID164838484
Molecular FormulaC57H37N3O
Molecular Weight779.94 g/mol
Exact Mass779.29
IUPAC Name2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc6c5oc5cc(-c7ccccc7)cc(-c7ccccc7)c56)c4)n3)c2)cc1
InChIInChI=1S/C57H37N3O/c1-5-17-38(18-6-1)42-25-13-28-45(33-42)55-58-56(46-29-14-26-43(34-46)39-19-7-2-8-20-39)60-57(59-55)47-30-15-27-44(35-47)49-31-16-32-50-53-51(41-23-11-4-12-24-41)36-48(37-52(53)61-54(49)50)40-21-9-3-10-22-40/h1-37H
InChIKeyVRMKOKDTSMBYFI-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

2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 170116450
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200545
2-(3,5-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[3-(4-phenylphenyl)phenyl]-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[4-(3-phenylphenyl)phenyl]-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;6-(4-phenylphenyl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 165026032
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808582
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808572
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-1,3,5-triazine
CID 167403219
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808637
2-(4-phenylnaphthalen-1-yl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808482
2-[3-(3-naphtho[2,1-b][1]benzofuran-8-ylphenyl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 134430112
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[3-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214029
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-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 164838484) is 2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc6c5oc5cc(-c7ccccc7)cc(-c7ccccc7)c56)c4)n3)c2)cc1.
What is the InChIKey of 2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is VRMKOKDTSMBYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3O/c1-5-17-38(18-6-1)42-25-13-28-45(33-42)55-58-56(46-29-14-26-43(34-46)39-19-7-2-8-20-39)60-57(59-55)47-30-15-27-44(35-47)49-31-16-32-50-53-51(41-23-11-4-12-24-41)36-48(37-52(53)61-54(49)50)40-21-9-3-10-22-40/h1-37H.
What are the key properties of 2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-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-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164838484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).