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

C39H26N4O — CID 71007165

IUPAC3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4N5c4ccccc4)c3)n2)cc1
InChIInChI=1S/C39H26N4O/c1-4-13-27(14-5-1)37-40-38(28-15-6-2-7-16-28)42-39(41-37)31-18-12-17-29(25-31)30-23-24-34-36(26-30)44-35-22-11-10-21-33(35)43(34)32-19-8-3-9-20-32/h1-26H
InChIKeyYJVFKJYVFMVBGC-UHFFFAOYSA-N
MW566.66 g/mol
LogP10.12
Rot. Bonds5

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

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine (PubChem CID 71007165) has the molecular formula C39H26N4O and a molecular weight of 566.66 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine.

Molecular Properties

Compound Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine
PubChem CID71007165
Molecular FormulaC39H26N4O
Molecular Weight566.66 g/mol
Exact Mass566.21
IUPAC Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4N5c4ccccc4)c3)n2)cc1
InChIInChI=1S/C39H26N4O/c1-4-13-27(14-5-1)37-40-38(28-15-6-2-7-16-28)42-39(41-37)31-18-12-17-29(25-31)30-23-24-34-36(26-30)44-35-22-11-10-21-33(35)43(34)32-19-8-3-9-20-32/h1-26H
InChIKeyYJVFKJYVFMVBGC-UHFFFAOYSA-N
XLogP10.12
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine?
The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine (CID 71007165) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine.
What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine?
The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)Oc4ccccc4N5c4ccccc4)c3)n2)cc1.
What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine?
The InChIKey is YJVFKJYVFMVBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O/c1-4-13-27(14-5-1)37-40-38(28-15-6-2-7-16-28)42-39(41-37)31-18-12-17-29(25-31)30-23-24-34-36(26-30)44-35-22-11-10-21-33(35)43(34)32-19-8-3-9-20-32/h1-26H.
What are the key properties of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine?
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine has a molecular weight of 566.66 g/mol, XLogP of 10.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenoxazine is sourced from PubChem (CID 71007165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).