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

C57H33N3O3 — CID 155077748

IUPAC2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)c6oc7ccccc7c56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C57H33N3O3/c1-2-11-34(12-3-1)37-13-10-14-39(31-37)56-58-55(59-57(60-56)40-26-28-46-44-16-5-8-19-49(44)62-52(46)33-40)36-23-21-35(22-24-36)41-29-30-42(54-53(41)47-17-6-9-20-50(47)63-54)38-25-27-45-43-15-4-7-18-48(43)61-51(45)32-38/h1-33H
InChIKeyHFPBGQQIDUEKMT-UHFFFAOYSA-N
MW807.91 g/mol
LogP15.57
Rot. Bonds6

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

2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 155077748) has the molecular formula C57H33N3O3 and a molecular weight of 807.91 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID155077748
Molecular FormulaC57H33N3O3
Molecular Weight807.91 g/mol
Exact Mass807.25
IUPAC Name2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)c6oc7ccccc7c56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C57H33N3O3/c1-2-11-34(12-3-1)37-13-10-14-39(31-37)56-58-55(59-57(60-56)40-26-28-46-44-16-5-8-19-49(44)62-52(46)33-40)36-23-21-35(22-24-36)41-29-30-42(54-53(41)47-17-6-9-20-50(47)63-54)38-25-27-45-43-15-4-7-18-48(43)61-51(45)32-38/h1-33H
InChIKeyHFPBGQQIDUEKMT-UHFFFAOYSA-N
XLogP15.57
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.91
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-[7-(4-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206981
2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155079176
2-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077854
2,4-diphenyl-6-[3-(4-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 130289437
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155079372
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155603269
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 155077731
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078181
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078432
2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 153215497
2-[7-[4-(4-dibenzofuran-4-ylphenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009476
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 155077748) is 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5ccc(-c6ccc7c(c6)oc6ccccc67)c6oc7ccccc7c56)cc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is HFPBGQQIDUEKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N3O3/c1-2-11-34(12-3-1)37-13-10-14-39(31-37)56-58-55(59-57(60-56)40-26-28-46-44-16-5-8-19-49(44)62-52(46)33-40)36-23-21-35(22-24-36)41-29-30-42(54-53(41)47-17-6-9-20-50(47)63-54)38-25-27-45-43-15-4-7-18-48(43)61-51(45)32-38/h1-33H.
What are the key properties of 2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 807.91 g/mol, XLogP of 15.57, 6 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-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155077748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).