10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine

C39H24N4OS — CID 118528358

IUPAC10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C39H24N4OS/c1-2-10-25(11-3-1)37-40-38(42-39(41-37)27-20-23-36-30(24-27)29-12-4-9-17-35(29)45-36)26-18-21-28(22-19-26)43-31-13-5-7-15-33(31)44-34-16-8-6-14-32(34)43/h1-24H
InChIKeyDYLQTAOJJYZTOR-UHFFFAOYSA-N
MW596.72 g/mol
LogP10.82
Rot. Bonds4

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

10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine (PubChem CID 118528358) has the molecular formula C39H24N4OS and a molecular weight of 596.72 g/mol. Its IUPAC name is 10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
PubChem CID118528358
Molecular FormulaC39H24N4OS
Molecular Weight596.72 g/mol
Exact Mass596.17
IUPAC Name10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C39H24N4OS/c1-2-10-25(11-3-1)37-40-38(42-39(41-37)27-20-23-36-30(24-27)29-12-4-9-17-35(29)45-36)26-18-21-28(22-19-26)43-31-13-5-7-15-33(31)44-34-16-8-6-14-32(34)43/h1-24H
InChIKeyDYLQTAOJJYZTOR-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 10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine (CID 118528358) is 10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine is c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
The InChIKey is DYLQTAOJJYZTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4OS/c1-2-10-25(11-3-1)37-40-38(42-39(41-37)27-20-23-36-30(24-27)29-12-4-9-17-35(29)45-36)26-18-21-28(22-19-26)43-31-13-5-7-15-33(31)44-34-16-8-6-14-32(34)43/h1-24H.
What are the key properties of 10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine?
10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]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 10-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 118528358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).