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

C57H35N3O — CID 168845004

IUPAC2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5cccc(-c6ccc7c(-c8cccc9ccccc89)cccc7c6)c5)nc(-c5cccc6c5oc5ccccc56)n4)ccc3c2)cc1
InChIInChI=1S/C57H35N3O/c1-2-12-36(13-3-1)39-26-27-41-35-45(29-28-40(41)32-39)56-58-55(59-57(60-56)52-24-11-23-51-50-20-6-7-25-53(50)61-54(51)52)44-18-8-16-38(34-44)42-30-31-47-43(33-42)17-10-22-49(47)48-21-9-15-37-14-4-5-19-46(37)48/h1-35H
InChIKeyIXRTZLATUCRMQD-UHFFFAOYSA-N
MW777.93 g/mol
LogP15.23
Rot. Bonds6

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

2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 168845004) has the molecular formula C57H35N3O and a molecular weight of 777.93 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID168845004
Molecular FormulaC57H35N3O
Molecular Weight777.93 g/mol
Exact Mass777.28
IUPAC Name2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3cc(-c4nc(-c5cccc(-c6ccc7c(-c8cccc9ccccc89)cccc7c6)c5)nc(-c5cccc6c5oc5ccccc56)n4)ccc3c2)cc1
InChIInChI=1S/C57H35N3O/c1-2-12-36(13-3-1)39-26-27-41-35-45(29-28-40(41)32-39)56-58-55(59-57(60-56)52-24-11-23-51-50-20-6-7-25-53(50)61-54(51)52)44-18-8-16-38(34-44)42-30-31-47-43(33-42)17-10-22-49(47)48-21-9-15-37-14-4-5-19-46(37)48/h1-35H
InChIKeyIXRTZLATUCRMQD-UHFFFAOYSA-N
XLogP15.23
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.93
LogP ≤ 515.23
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-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
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-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 169278592
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine
CID 170131612
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-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442199
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189
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-(2-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481175
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[5-(6-phenyldibenzofuran-4-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146631342

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 168845004) is 2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4nc(-c5cccc(-c6ccc7c(-c8cccc9ccccc89)cccc7c6)c5)nc(-c5cccc6c5oc5ccccc56)n4)ccc3c2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is IXRTZLATUCRMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O/c1-2-12-36(13-3-1)39-26-27-41-35-45(29-28-40(41)32-39)56-58-55(59-57(60-56)52-24-11-23-51-50-20-6-7-25-53(50)61-54(51)52)44-18-8-16-38(34-44)42-30-31-47-43(33-42)17-10-22-49(47)48-21-9-15-37-14-4-5-19-46(37)48/h1-35H.
What are the key properties of 2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 777.93 g/mol, XLogP of 15.23, 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-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 168845004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).