3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine

C39H24N4OS — CID 118688776

IUPAC3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Oc4cc(-c5ccc6sc7ccccc7c6c5)ccc43)n2)cc1
InChIInChI=1S/C39H24N4OS/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)43-31-16-8-9-17-33(31)44-34-24-28(19-21-32(34)43)27-20-22-36-30(23-27)29-15-7-10-18-35(29)45-36/h1-24H
InChIKeyJLPZJKYGCCUJAV-UHFFFAOYSA-N
MW596.72 g/mol
LogP10.82
Rot. Bonds4

About 3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine

3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine (PubChem CID 118688776) has the molecular formula C39H24N4OS and a molecular weight of 596.72 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
PubChem CID118688776
Molecular FormulaC39H24N4OS
Molecular Weight596.72 g/mol
Exact Mass596.17
IUPAC Name3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Oc4cc(-c5ccc6sc7ccccc7c6c5)ccc43)n2)cc1
InChIInChI=1S/C39H24N4OS/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)43-31-16-8-9-17-33(31)44-34-24-28(19-21-32(34)43)27-20-22-36-30(23-27)29-15-7-10-18-35(29)45-36/h1-24H
InChIKeyJLPZJKYGCCUJAV-UHFFFAOYSA-N
XLogP10.82
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.72
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine?
The IUPAC name of 3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine (CID 118688776) is 3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine.
What is the SMILES notation for 3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine?
The canonical SMILES for 3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Oc4cc(-c5ccc6sc7ccccc7c6c5)ccc43)n2)cc1.
What is the InChIKey of 3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine?
The InChIKey is JLPZJKYGCCUJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4OS/c1-3-11-25(12-4-1)37-40-38(26-13-5-2-6-14-26)42-39(41-37)43-31-16-8-9-17-33(31)44-34-24-28(19-21-32(34)43)27-20-22-36-30(23-27)29-15-7-10-18-35(29)45-36/h1-24H.
What are the key properties of 3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine?
3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine has a molecular weight of 596.72 g/mol, XLogP of 10.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine is sourced from PubChem (CID 118688776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).