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

C27H18N4O — CID 59194549

IUPAC10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C27H18N4O/c1-3-11-19(12-4-1)25-28-26(20-13-5-2-6-14-20)30-27(29-25)31-21-15-7-9-17-23(21)32-24-18-10-8-16-22(24)31/h1-18H
InChIKeyITKOYYRLOGYUQY-UHFFFAOYSA-N
MW414.47 g/mol
LogP6.78
Rot. Bonds3

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

10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine (PubChem CID 59194549) has the molecular formula C27H18N4O and a molecular weight of 414.47 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine.

Molecular Properties

Compound Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
PubChem CID59194549
Molecular FormulaC27H18N4O
Molecular Weight414.47 g/mol
Exact Mass414.15
IUPAC Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C27H18N4O/c1-3-11-19(12-4-1)25-28-26(20-13-5-2-6-14-20)30-27(29-25)31-21-15-7-9-17-23(21)32-24-18-10-8-16-22(24)31/h1-18H
InChIKeyITKOYYRLOGYUQY-UHFFFAOYSA-N
XLogP6.78
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine?
The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine (CID 59194549) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine.
What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine?
The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine is c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine?
The InChIKey is ITKOYYRLOGYUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O/c1-3-11-19(12-4-1)25-28-26(20-13-5-2-6-14-20)30-27(29-25)31-21-15-7-9-17-23(21)32-24-18-10-8-16-22(24)31/h1-18H.
What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine?
10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine has a molecular weight of 414.47 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine is sourced from PubChem (CID 59194549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).