2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine

C53H33N3O — CID 139442199

IUPAC2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4cccc(-c5nc(-c6ccc(-c7ccc8ccccc8c7)cc6)nc(-c6cccc7c6oc6ccccc67)n5)c4c3)cc2)cc1
InChIInChI=1S/C53H33N3O/c1-2-10-34(11-3-1)36-20-22-38(23-21-36)43-31-27-39-14-8-17-46(48(39)33-43)52-54-51(40-28-24-37(25-29-40)42-30-26-35-12-4-5-13-41(35)32-42)55-53(56-52)47-18-9-16-45-44-15-6-7-19-49(44)57-50(45)47/h1-33H
InChIKeyGDIHBOYEUTVNJJ-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.08
Rot. Bonds6

About 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine

2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 139442199) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
PubChem CID139442199
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4cccc(-c5nc(-c6ccc(-c7ccc8ccccc8c7)cc6)nc(-c6cccc7c6oc6ccccc67)n5)c4c3)cc2)cc1
InChIInChI=1S/C53H33N3O/c1-2-10-34(11-3-1)36-20-22-38(23-21-36)43-31-27-39-14-8-17-46(48(39)33-43)52-54-51(40-28-24-37(25-29-40)42-30-26-35-12-4-5-13-41(35)32-42)55-53(56-52)47-18-9-16-45-44-15-6-7-19-49(44)57-50(45)47/h1-33H
InChIKeyGDIHBOYEUTVNJJ-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-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-[2-(6-naphthalen-2-ylphenanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 171732313
2-dibenzofuran-4-yl-4-(4-phenylnaphthalen-1-yl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155480735
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 155481473
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155481498
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-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine (CID 139442199) is 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc4cccc(-c5nc(-c6ccc(-c7ccc8ccccc8c7)cc6)nc(-c6cccc7c6oc6ccccc67)n5)c4c3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is GDIHBOYEUTVNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-2-10-34(11-3-1)36-20-22-38(23-21-36)43-31-27-39-14-8-17-46(48(39)33-43)52-54-51(40-28-24-37(25-29-40)42-30-26-35-12-4-5-13-41(35)32-42)55-53(56-52)47-18-9-16-45-44-15-6-7-19-49(44)57-50(45)47/h1-33H.
What are the key properties of 2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-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-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 139442199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).