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

C33H21N5O2 — CID 59194568

IUPAC10-(4-phenoxazin-10-yl-6-phenyl-1,3,5-triazin-2-yl)phenoxazine
SMILESc1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)nc(N3c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C33H21N5O2/c1-2-12-22(13-3-1)31-34-32(37-23-14-4-8-18-27(23)39-28-19-9-5-15-24(28)37)36-33(35-31)38-25-16-6-10-20-29(25)40-30-21-11-7-17-26(30)38/h1-21H
InChIKeyUGTSQMOWJZAFNT-UHFFFAOYSA-N
MW519.56 g/mol
LogP8.69
Rot. Bonds3

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

10-(4-phenoxazin-10-yl-6-phenyl-1,3,5-triazin-2-yl)phenoxazine (PubChem CID 59194568) has the molecular formula C33H21N5O2 and a molecular weight of 519.56 g/mol. Its IUPAC name is 10-(4-phenoxazin-10-yl-6-phenyl-1,3,5-triazin-2-yl)phenoxazine.

Molecular Properties

Compound Name10-(4-phenoxazin-10-yl-6-phenyl-1,3,5-triazin-2-yl)phenoxazine
PubChem CID59194568
Molecular FormulaC33H21N5O2
Molecular Weight519.56 g/mol
Exact Mass519.17
IUPAC Name10-(4-phenoxazin-10-yl-6-phenyl-1,3,5-triazin-2-yl)phenoxazine
SMILESc1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)nc(N3c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C33H21N5O2/c1-2-12-22(13-3-1)31-34-32(37-23-14-4-8-18-27(23)39-28-19-9-5-15-24(28)37)36-33(35-31)38-25-16-6-10-20-29(25)40-30-21-11-7-17-26(30)38/h1-21H
InChIKeyUGTSQMOWJZAFNT-UHFFFAOYSA-N
XLogP8.69
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.56
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-(4-phenoxazin-10-yl-6-phenyl-1,3,5-triazin-2-yl)phenoxazine?
The IUPAC name of 10-(4-phenoxazin-10-yl-6-phenyl-1,3,5-triazin-2-yl)phenoxazine (CID 59194568) is 10-(4-phenoxazin-10-yl-6-phenyl-1,3,5-triazin-2-yl)phenoxazine.
What is the SMILES notation for 10-(4-phenoxazin-10-yl-6-phenyl-1,3,5-triazin-2-yl)phenoxazine?
The canonical SMILES for 10-(4-phenoxazin-10-yl-6-phenyl-1,3,5-triazin-2-yl)phenoxazine is c1ccc(-c2nc(N3c4ccccc4Oc4ccccc43)nc(N3c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 10-(4-phenoxazin-10-yl-6-phenyl-1,3,5-triazin-2-yl)phenoxazine?
The InChIKey is UGTSQMOWJZAFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5O2/c1-2-12-22(13-3-1)31-34-32(37-23-14-4-8-18-27(23)39-28-19-9-5-15-24(28)37)36-33(35-31)38-25-16-6-10-20-29(25)40-30-21-11-7-17-26(30)38/h1-21H.
What are the key properties of 10-(4-phenoxazin-10-yl-6-phenyl-1,3,5-triazin-2-yl)phenoxazine?
10-(4-phenoxazin-10-yl-6-phenyl-1,3,5-triazin-2-yl)phenoxazine has a molecular weight of 519.56 g/mol, XLogP of 8.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenoxazin-10-yl-6-phenyl-1,3,5-triazin-2-yl)phenoxazine is sourced from PubChem (CID 59194568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).