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10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine

C28H18N4O — CID 118429761

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2nc3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C28H18N4O/c1-2-8-22-19(7-1)13-18-23-28(22)30-32(29-23)21-16-14-20(15-17-21)31-24-9-3-5-11-26(24)33-27-12-6-4-10-25(27)31/h1-18H
InChIKeyKIGAZMYTPYGUOI-UHFFFAOYSA-N
MW426.48 g/mol
LogP7.15
Rot. Bonds2

About 10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine

10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine (PubChem CID 118429761) has the molecular formula C28H18N4O and a molecular weight of 426.48 g/mol. Its IUPAC name is 10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine.

Molecular Properties

Compound Name10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine
PubChem CID118429761
Molecular FormulaC28H18N4O
Molecular Weight426.48 g/mol
Exact Mass426.15
IUPAC Name10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2nc3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C28H18N4O/c1-2-8-22-19(7-1)13-18-23-28(22)30-32(29-23)21-16-14-20(15-17-21)31-24-9-3-5-11-26(24)33-27-12-6-4-10-25(27)31/h1-18H
InChIKeyKIGAZMYTPYGUOI-UHFFFAOYSA-N
XLogP7.15
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine?
The IUPAC name of 10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine (CID 118429761) is 10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine.
What is the SMILES notation for 10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine?
The canonical SMILES for 10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-n2nc3ccc4ccccc4c3n2)cc1.
What is the InChIKey of 10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine?
The InChIKey is KIGAZMYTPYGUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O/c1-2-8-22-19(7-1)13-18-23-28(22)30-32(29-23)21-16-14-20(15-17-21)31-24-9-3-5-11-26(24)33-27-12-6-4-10-25(27)31/h1-18H.
What are the key properties of 10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine?
10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine has a molecular weight of 426.48 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-benzo[e]benzotriazol-2-ylphenyl)phenoxazine is sourced from PubChem (CID 118429761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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