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

C53H33N3O — CID 139441852

IUPAC2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4c(-c5c(-c6ccccc6)ccc6ccccc56)ccc5ccccc45)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C53H33N3O/c1-3-15-34(16-4-1)42-31-29-36-18-8-10-24-41(36)49(42)45-32-30-35-17-7-9-23-40(35)48(45)38-21-13-22-39(33-38)52-54-51(37-19-5-2-6-20-37)55-53(56-52)46-27-14-26-44-43-25-11-12-28-47(43)57-50(44)46/h1-33H
InChIKeyWJRJFCRWCSCOHQ-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.08
Rot. Bonds6

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

2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine (PubChem CID 139441852) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
PubChem CID139441852
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4c(-c5c(-c6ccccc6)ccc6ccccc56)ccc5ccccc45)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C53H33N3O/c1-3-15-34(16-4-1)42-31-29-36-18-8-10-24-41(36)49(42)45-32-30-35-17-7-9-23-40(35)48(45)38-21-13-22-39(33-38)52-54-51(37-19-5-2-6-20-37)55-53(56-52)46-27-14-26-44-43-25-11-12-28-47(43)57-50(44)46/h1-33H
InChIKeyWJRJFCRWCSCOHQ-UHFFFAOYSA-N
XLogP14.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-phenyl-6-[4-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442227
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-(2-phenylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481167
2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(4-phenylnaphthalen-1-yl)phenanthren-9-yl]phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(2-phenylnaphthalen-1-yl)phenyl]phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 158381345
2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155481375
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-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155763951
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
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-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine (CID 139441852) is 2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4c(-c5c(-c6ccccc6)ccc6ccccc56)ccc5ccccc45)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The InChIKey is WJRJFCRWCSCOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-3-15-34(16-4-1)42-31-29-36-18-8-10-24-41(36)49(42)45-32-30-35-17-7-9-23-40(35)48(45)38-21-13-22-39(33-38)52-54-51(37-19-5-2-6-20-37)55-53(56-52)46-27-14-26-44-43-25-11-12-28-47(43)57-50(44)46/h1-33H.
What are the key properties of 2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine has a molecular weight of 727.87 g/mol, XLogP of 14.08, 6 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-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 139441852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).