2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

C114H70N6O2S2 — CID 158143697

IUPAC2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)cc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc6sc7ccccc7c56)c4)cc(-c4cccc(-c5cccc6sc7ccccc7c56)c4)c3)n2)cc1
InChIInChI=1S/C57H35N3O2.C57H35N3S2/c2*1-3-15-36(16-4-1)55-58-56(37-17-5-2-6-18-37)60-57(59-55)44-34-42(38-19-11-21-40(31-38)45-25-13-29-51-53(45)47-23-7-9-27-49(47)61-51)33-43(35-44)39-20-12-22-41(32-39)46-26-14-30-52-54(46)48-24-8-10-28-50(48)62-52/h2*1-35H
InChIKeyFUGGSQNBPYGOJR-UHFFFAOYSA-N
MW1619.99 g/mol
LogP31.62
Rot. Bonds14

About 2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 158143697) has the molecular formula C114H70N6O2S2 and a molecular weight of 1619.99 g/mol. Its IUPAC name is 2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID158143697
Molecular FormulaC114H70N6O2S2
Molecular Weight1619.99 g/mol
Exact Mass1618.50
IUPAC Name2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)cc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc6sc7ccccc7c56)c4)cc(-c4cccc(-c5cccc6sc7ccccc7c56)c4)c3)n2)cc1
InChIInChI=1S/C57H35N3O2.C57H35N3S2/c2*1-3-15-36(16-4-1)55-58-56(37-17-5-2-6-18-37)60-57(59-55)44-34-42(38-19-11-21-40(31-38)45-25-13-29-51-53(45)47-23-7-9-27-49(47)61-51)33-43(35-44)39-20-12-22-41(32-39)46-26-14-30-52-54(46)48-24-8-10-28-50(48)62-52/h2*1-35H
InChIKeyFUGGSQNBPYGOJR-UHFFFAOYSA-N
XLogP31.62
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001619.99
LogP ≤ 531.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(3-dibenzofuran-3-yl-5-dibenzothiophen-1-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163547459
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-(3-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 166743455
2-dibenzothiophen-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198711
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741718
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198900
2-dibenzofuran-1-yl-4-phenyl-6-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 155328942
2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155079040
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155078795
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442533
2-dibenzothiophen-1-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407677

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 158143697) is 2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)cc(-c4cccc(-c5cccc6oc7ccccc7c56)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc(-c5cccc6sc7ccccc7c56)c4)cc(-c4cccc(-c5cccc6sc7ccccc7c56)c4)c3)n2)cc1.
What is the InChIKey of 2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is FUGGSQNBPYGOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O2.C57H35N3S2/c2*1-3-15-36(16-4-1)55-58-56(37-17-5-2-6-18-37)60-57(59-55)44-34-42(38-19-11-21-40(31-38)45-25-13-29-51-53(45)47-23-7-9-27-49(47)61-51)33-43(35-44)39-20-12-22-41(32-39)46-26-14-30-52-54(46)48-24-8-10-28-50(48)62-52/h2*1-35H.
What are the key properties of 2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1619.99 g/mol, XLogP of 31.62, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3,5-bis(3-dibenzothiophen-1-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 158143697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).