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

C59H37N3O — CID 155481375

IUPAC2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4ccccc4c3-c3nc(-c4c(-c5cccc(-c6ccccc6)c5)ccc5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C59H37N3O/c1-3-16-38(17-4-1)42-22-13-24-44(36-42)48-34-32-40-20-7-9-26-46(40)54(48)58-60-57(52-30-15-29-51-50-28-11-12-31-53(50)63-56(51)52)61-59(62-58)55-47-27-10-8-21-41(47)33-35-49(55)45-25-14-23-43(37-45)39-18-5-2-6-19-39/h1-37H
InChIKeyZYBQBEROCNFHQJ-UHFFFAOYSA-N
MW803.97 g/mol
LogP15.75
Rot. Bonds7

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

2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 155481375) has the molecular formula C59H37N3O and a molecular weight of 803.97 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
PubChem CID155481375
Molecular FormulaC59H37N3O
Molecular Weight803.97 g/mol
Exact Mass803.29
IUPAC Name2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4ccccc4c3-c3nc(-c4c(-c5cccc(-c6ccccc6)c5)ccc5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C59H37N3O/c1-3-16-38(17-4-1)42-22-13-24-44(36-42)48-34-32-40-20-7-9-26-46(40)54(48)58-60-57(52-30-15-29-51-50-28-11-12-31-53(50)63-56(51)52)61-59(62-58)55-47-27-10-8-21-41(47)33-35-49(55)45-25-14-23-43(37-45)39-18-5-2-6-19-39/h1-37H
InChIKeyZYBQBEROCNFHQJ-UHFFFAOYSA-N
XLogP15.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.97
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-4-(2-phenylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481167
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442227
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441843
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 155764013
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481175
2-dibenzofuran-4-yl-4-[2-[3-[4-[4-dibenzofuran-4-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylnaphthalen-1-yl]phenyl]naphthalen-1-yl]-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155481155
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481342
2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349302
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442228
2-dibenzofuran-4-yl-4-(4-phenylnaphthalen-1-yl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155480735
2,4-di(dibenzofuran-4-yl)-6-[2,4-diphenyl-6-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348909
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441852

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine (CID 155481375) is 2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc4ccccc4c3-c3nc(-c4c(-c5cccc(-c6ccccc6)c5)ccc5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is ZYBQBEROCNFHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3O/c1-3-16-38(17-4-1)42-22-13-24-44(36-42)48-34-32-40-20-7-9-26-46(40)54(48)58-60-57(52-30-15-29-51-50-28-11-12-31-53(50)63-56(51)52)61-59(62-58)55-47-27-10-8-21-41(47)33-35-49(55)45-25-14-23-43(37-45)39-18-5-2-6-19-39/h1-37H.
What are the key properties of 2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 803.97 g/mol, XLogP of 15.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 155481375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).