3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide

C39H23N3O3S — CID 169131775

IUPAC3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)cc21
InChIInChI=1S/C39H23N3O3S/c43-46(44)34-22-26(24-10-3-1-4-11-24)18-20-28(34)29-21-19-27(23-35(29)46)38-40-37(25-12-5-2-6-13-25)41-39(42-38)31-15-9-17-33-36(31)30-14-7-8-16-32(30)45-33/h1-23H
InChIKeyAHHSNEPCMDRLGL-UHFFFAOYSA-N
MW613.70 g/mol
LogP9.25
Rot. Bonds4

About 3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide

3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide (PubChem CID 169131775) has the molecular formula C39H23N3O3S and a molecular weight of 613.70 g/mol. Its IUPAC name is 3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide
PubChem CID169131775
Molecular FormulaC39H23N3O3S
Molecular Weight613.70 g/mol
Exact Mass613.15
IUPAC Name3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)cc21
InChIInChI=1S/C39H23N3O3S/c43-46(44)34-22-26(24-10-3-1-4-11-24)18-20-28(34)29-21-19-27(23-35(29)46)38-40-37(25-12-5-2-6-13-25)41-39(42-38)31-15-9-17-33-36(31)30-14-7-8-16-32(30)45-33/h1-23H
InChIKeyAHHSNEPCMDRLGL-UHFFFAOYSA-N
XLogP9.25
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.70
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 169131802
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
3-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophene 5,5-dioxide
CID 176754983
2-dibenzofuran-1-yl-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177112627
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
[4-[3-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645544
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
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858

Frequently Asked Questions

What is the IUPAC name of 3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide?
The IUPAC name of 3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide (CID 169131775) is 3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide.
What is the SMILES notation for 3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide?
The canonical SMILES for 3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide is O=S1(=O)c2cc(-c3ccccc3)ccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccccc6c45)n3)cc21.
What is the InChIKey of 3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide?
The InChIKey is AHHSNEPCMDRLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3O3S/c43-46(44)34-22-26(24-10-3-1-4-11-24)18-20-28(34)29-21-19-27(23-35(29)46)38-40-37(25-12-5-2-6-13-25)41-39(42-38)31-15-9-17-33-36(31)30-14-7-8-16-32(30)45-33/h1-23H.
What are the key properties of 3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide?
3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide has a molecular weight of 613.70 g/mol, XLogP of 9.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyldibenzothiophene 5,5-dioxide is sourced from PubChem (CID 169131775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).