2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine

C55H33N3O2 — CID 164822821

IUPAC2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C55H33N3O2/c1-2-12-36(13-3-1)53-56-54(37-23-21-35(22-24-37)44-18-10-14-34-11-4-5-15-43(34)44)58-55(57-53)42-30-40(38-26-28-51-48(32-38)46-17-7-9-20-50(46)59-51)29-41(31-42)39-25-27-47-45-16-6-8-19-49(45)60-52(47)33-39/h1-33H
InChIKeyOGKBNNRTEALCCV-UHFFFAOYSA-N
MW767.89 g/mol
LogP14.83
Rot. Bonds6

About 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine

2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 164822821) has the molecular formula C55H33N3O2 and a molecular weight of 767.89 g/mol. Its IUPAC name is 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID164822821
Molecular FormulaC55H33N3O2
Molecular Weight767.89 g/mol
Exact Mass767.26
IUPAC Name2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C55H33N3O2/c1-2-12-36(13-3-1)53-56-54(37-23-21-35(22-24-37)44-18-10-14-34-11-4-5-15-43(34)44)58-55(57-53)42-30-40(38-26-28-51-48(32-38)46-17-7-9-20-50(46)59-51)29-41(31-42)39-25-27-47-45-16-6-8-19-49(45)60-52(47)33-39/h1-33H
InChIKeyOGKBNNRTEALCCV-UHFFFAOYSA-N
XLogP14.83
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.89
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167
2-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171584875
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 163416881
2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 163895901
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-[3-dibenzofuran-3-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442386
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157361535
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252
2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 165057936
2-[4-[8-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193050

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine (CID 164822821) is 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc(-c4ccc5c(c4)oc4ccccc45)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is OGKBNNRTEALCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O2/c1-2-12-36(13-3-1)53-56-54(37-23-21-35(22-24-37)44-18-10-14-34-11-4-5-15-43(34)44)58-55(57-53)42-30-40(38-26-28-51-48(32-38)46-17-7-9-20-50(46)59-51)29-41(31-42)39-25-27-47-45-16-6-8-19-49(45)60-52(47)33-39/h1-33H.
What are the key properties of 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine?
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 767.89 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 164822821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).