2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine

C49H29N3O2 — CID 177112653

IUPAC2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)c5c(c4)oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)c3ccccc23)cc1
InChIInChI=1S/C49H29N3O2/c1-3-14-30(15-4-1)33-26-27-36(35-19-8-7-18-34(33)35)48-50-47(51-49(52-48)39-22-13-25-43-45(39)37-20-9-11-23-41(37)53-43)32-28-40(31-16-5-2-6-17-31)46-38-21-10-12-24-42(38)54-44(46)29-32/h1-29H
InChIKeyIIOZLSOCQUHHJK-UHFFFAOYSA-N
MW691.79 g/mol
LogP13.16
Rot. Bonds5

About 2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 177112653) has the molecular formula C49H29N3O2 and a molecular weight of 691.79 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID177112653
Molecular FormulaC49H29N3O2
Molecular Weight691.79 g/mol
Exact Mass691.23
IUPAC Name2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)c5c(c4)oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)c3ccccc23)cc1
InChIInChI=1S/C49H29N3O2/c1-3-14-30(15-4-1)33-26-27-36(35-19-8-7-18-34(33)35)48-50-47(51-49(52-48)39-22-13-25-43-45(39)37-20-9-11-23-41(37)53-43)32-28-40(31-16-5-2-6-17-31)46-38-21-10-12-24-42(38)54-44(46)29-32/h1-29H
InChIKeyIIOZLSOCQUHHJK-UHFFFAOYSA-N
XLogP13.16
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.79
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155380232
2,4-diphenyl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742275
2-[4-(3-naphthalen-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177112661
2-dibenzofuran-1-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130847
2,4-diphenyl-6-[6-(1-phenyldibenzofuran-3-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378332
2-dibenzofuran-1-yl-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177112627
2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259532
2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177278886
2-dibenzofuran-3-yl-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 147701986
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742910
2-dibenzofuran-1-yl-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 169053839
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 177112653) is 2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)c5c(c4)oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)c3ccccc23)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is IIOZLSOCQUHHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2/c1-3-14-30(15-4-1)33-26-27-36(35-19-8-7-18-34(33)35)48-50-47(51-49(52-48)39-22-13-25-43-45(39)37-20-9-11-23-41(37)53-43)32-28-40(31-16-5-2-6-17-31)46-38-21-10-12-24-42(38)54-44(46)29-32/h1-29H.
What are the key properties of 2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 691.79 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 177112653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).