10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine

C30H20N4O — CID 121244891

IUPAC10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine
SMILESc1ccc(-n2nc(-c3cccc4ccccc34)nc2N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C30H20N4O/c1-2-13-22(14-3-1)34-30(31-29(32-34)24-16-10-12-21-11-4-5-15-23(21)24)33-25-17-6-8-19-27(25)35-28-20-9-7-18-26(28)33/h1-20H
InChIKeyCJUGQODGHVZJNK-UHFFFAOYSA-N
MW452.52 g/mol
LogP7.66
Rot. Bonds3

About 10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine

10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine (PubChem CID 121244891) has the molecular formula C30H20N4O and a molecular weight of 452.52 g/mol. Its IUPAC name is 10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine.

Molecular Properties

Compound Name10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine
PubChem CID121244891
Molecular FormulaC30H20N4O
Molecular Weight452.52 g/mol
Exact Mass452.16
IUPAC Name10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine
SMILESc1ccc(-n2nc(-c3cccc4ccccc34)nc2N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C30H20N4O/c1-2-13-22(14-3-1)34-30(31-29(32-34)24-16-10-12-21-11-4-5-15-23(21)24)33-25-17-6-8-19-27(25)35-28-20-9-7-18-26(28)33/h1-20H
InChIKeyCJUGQODGHVZJNK-UHFFFAOYSA-N
XLogP7.66
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine?
The IUPAC name of 10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine (CID 121244891) is 10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine.
What is the SMILES notation for 10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine?
The canonical SMILES for 10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine is c1ccc(-n2nc(-c3cccc4ccccc34)nc2N2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine?
The InChIKey is CJUGQODGHVZJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O/c1-2-13-22(14-3-1)34-30(31-29(32-34)24-16-10-12-21-11-4-5-15-23(21)24)33-25-17-6-8-19-27(25)35-28-20-9-7-18-26(28)33/h1-20H.
What are the key properties of 10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine?
10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine has a molecular weight of 452.52 g/mol, XLogP of 7.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-naphthalen-1-yl-2-phenyl-1,2,4-triazol-3-yl)phenoxazine is sourced from PubChem (CID 121244891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).