2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine

C51H29N3O3 — CID 155078325

IUPAC2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C51H29N3O3/c1-2-12-30(13-3-1)31-14-10-15-32(28-31)49-52-50(33-24-25-35-34-16-4-7-20-41(34)56-45(35)29-33)54-51(53-49)40-27-26-37(48-47(40)39-18-6-9-22-43(39)57-48)36-19-11-23-44-46(36)38-17-5-8-21-42(38)55-44/h1-29H
InChIKeyMKJYFJGJIFEMAV-UHFFFAOYSA-N
MW731.81 g/mol
LogP13.90
Rot. Bonds5

About 2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 155078325) has the molecular formula C51H29N3O3 and a molecular weight of 731.81 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID155078325
Molecular FormulaC51H29N3O3
Molecular Weight731.81 g/mol
Exact Mass731.22
IUPAC Name2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C51H29N3O3/c1-2-12-30(13-3-1)31-14-10-15-32(28-31)49-52-50(33-24-25-35-34-16-4-7-20-41(34)56-45(35)29-33)54-51(53-49)40-27-26-37(48-47(40)39-18-6-9-22-43(39)57-48)36-19-11-23-44-46(36)38-17-5-8-21-42(38)55-44/h1-29H
InChIKeyMKJYFJGJIFEMAV-UHFFFAOYSA-N
XLogP13.90
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.81
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[9-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 170192844
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155079176
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377329
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155603269
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077748
2-phenyl-4-[7-(4-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206981
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078432
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163961134

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 155078325) is 2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is MKJYFJGJIFEMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O3/c1-2-12-30(13-3-1)31-14-10-15-32(28-31)49-52-50(33-24-25-35-34-16-4-7-20-41(34)56-45(35)29-33)54-51(53-49)40-27-26-37(48-47(40)39-18-6-9-22-43(39)57-48)36-19-11-23-44-46(36)38-17-5-8-21-42(38)55-44/h1-29H.
What are the key properties of 2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 731.81 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155078325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).