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

C53H33N3O — CID 155763992

IUPAC2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc(-c6ccccc6)c6ccccc6c5)c5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C53H33N3O/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)51-54-52(56-53(55-51)47-24-13-23-45-44-22-11-12-25-49(44)57-50(45)47)46-31-30-41(42-20-9-10-21-43(42)46)39-32-38-18-7-8-19-40(38)48(33-39)36-16-5-2-6-17-36/h1-33H
InChIKeyCZZPFIISTCQWFL-UHFFFAOYSA-N
MW727.87 g/mol
LogP14.08
Rot. Bonds6

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

2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 155763992) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID155763992
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc(-c6ccccc6)c6ccccc6c5)c5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C53H33N3O/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)51-54-52(56-53(55-51)47-24-13-23-45-44-22-11-12-25-49(44)57-50(45)47)46-31-30-41(42-20-9-10-21-43(42)46)39-32-38-18-7-8-19-40(38)48(33-39)36-16-5-2-6-17-36/h1-33H
InChIKeyCZZPFIISTCQWFL-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-(4-phenylnaphthalen-1-yl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155480745
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 155481098
2-dibenzofuran-4-yl-4-phenyl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine
CID 155481121
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
2-dibenzofuran-4-yl-4-[4-(4-naphthalen-1-ylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481357
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899
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-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
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-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-[4-(4-phenanthren-9-ylnaphthalen-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 155763929

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 155763992) is 2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cc(-c6ccccc6)c6ccccc6c5)c5ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is CZZPFIISTCQWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-3-14-34(15-4-1)35-26-28-37(29-27-35)51-54-52(56-53(55-51)47-24-13-23-45-44-22-11-12-25-49(44)57-50(45)47)46-31-30-41(42-20-9-10-21-43(42)46)39-32-38-18-7-8-19-40(38)48(33-39)36-16-5-2-6-17-36/h1-33H.
What are the key properties of 2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[4-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-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-(4-phenylnaphthalen-2-yl)naphthalen-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155763992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).