2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine

C39H23N3O2S — CID 165382224

IUPAC2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc6c(c5)Oc5ccccc5S6)c34)n2)cc1
InChIInChI=1S/C39H23N3O2S/c1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)27-18-20-29-32(23-27)44-31-16-9-14-28(36(29)31)26-19-21-35-33(22-26)43-30-15-7-8-17-34(30)45-35/h1-23H
InChIKeyRCJKMJDZLICMDS-UHFFFAOYSA-N
MW597.70 g/mol
LogP10.70
Rot. Bonds4

About 2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine

2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 165382224) has the molecular formula C39H23N3O2S and a molecular weight of 597.70 g/mol. Its IUPAC name is 2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID165382224
Molecular FormulaC39H23N3O2S
Molecular Weight597.70 g/mol
Exact Mass597.15
IUPAC Name2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc6c(c5)Oc5ccccc5S6)c34)n2)cc1
InChIInChI=1S/C39H23N3O2S/c1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)27-18-20-29-32(23-27)44-31-16-9-14-28(36(29)31)26-19-21-35-33(22-26)43-30-15-7-8-17-34(30)45-35/h1-23H
InChIKeyRCJKMJDZLICMDS-UHFFFAOYSA-N
XLogP10.70
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.70
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170193016
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-(3,4-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797807
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797357
2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797827
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252
2,4-bis(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165042991
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2-phenyl-4-(9-phenyldibenzofuran-3-yl)-6-triphenylen-2-yl-1,3,5-triazine
CID 167377806
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine (CID 165382224) is 2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc6c(c5)Oc5ccccc5S6)c34)n2)cc1.
What is the InChIKey of 2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is RCJKMJDZLICMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N3O2S/c1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)27-18-20-29-32(23-27)44-31-16-9-14-28(36(29)31)26-19-21-35-33(22-26)43-30-15-7-8-17-34(30)45-35/h1-23H.
What are the key properties of 2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine?
2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 597.70 g/mol, XLogP of 10.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenoxathiin-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 165382224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).