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

C51H29N3O2S — CID 155079038

IUPAC2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C51H29N3O2S/c1-2-12-31(13-3-1)49-52-50(54-51(53-49)40-19-10-18-37-34-14-4-7-20-41(34)55-47(37)40)32-26-24-30(25-27-32)33-28-29-36(46-38-15-5-8-21-42(38)56-48(33)46)35-17-11-23-44-45(35)39-16-6-9-22-43(39)57-44/h1-29H
InChIKeyUFGCCWWXOAEGEV-UHFFFAOYSA-N
MW747.88 g/mol
LogP14.37
Rot. Bonds5

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

2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 155079038) has the molecular formula C51H29N3O2S and a molecular weight of 747.88 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID155079038
Molecular FormulaC51H29N3O2S
Molecular Weight747.88 g/mol
Exact Mass747.20
IUPAC Name2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C51H29N3O2S/c1-2-12-31(13-3-1)49-52-50(54-51(53-49)40-19-10-18-37-34-14-4-7-20-41(34)55-47(37)40)32-26-24-30(25-27-32)33-28-29-36(46-38-15-5-8-21-42(38)56-48(33)46)35-17-11-23-44-45(35)39-16-6-9-22-43(39)57-44/h1-29H
InChIKeyUFGCCWWXOAEGEV-UHFFFAOYSA-N
XLogP14.37
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.88
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-2-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079039
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078421
2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 153289598
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155078795
2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155079040
2-dibenzofuran-4-yl-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 155050381
2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 153289611
2-(2-dibenzofuran-4-yl-6-dibenzothiophen-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402570
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 139548908
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330
2,4-diphenyl-6-[9-(1-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199156

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 155079038) is 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is UFGCCWWXOAEGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O2S/c1-2-12-31(13-3-1)49-52-50(54-51(53-49)40-19-10-18-37-34-14-4-7-20-41(34)55-47(37)40)32-26-24-30(25-27-32)33-28-29-36(46-38-15-5-8-21-42(38)56-48(33)46)35-17-11-23-44-45(35)39-16-6-9-22-43(39)57-44/h1-29H.
What are the key properties of 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 747.88 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155079038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).