3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one

C25H15NO3 — CID 141479451

IUPAC3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one
SMILESO=c1oc2cc3ccccc3cc2cc1-c1cccc2c1Nc1ccccc1O2
InChIInChI=1S/C25H15NO3/c27-25-19(13-17-12-15-6-1-2-7-16(15)14-23(17)29-25)18-8-5-11-22-24(18)26-20-9-3-4-10-21(20)28-22/h1-14,26H
InChIKeyNYHIVJGNDGRAPE-UHFFFAOYSA-N
MW377.40 g/mol
LogP6.46
Rot. Bonds1

About 3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one

3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one (PubChem CID 141479451) has the molecular formula C25H15NO3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one.

Molecular Properties

Compound Name3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one
PubChem CID141479451
Molecular FormulaC25H15NO3
Molecular Weight377.40 g/mol
Exact Mass377.11
IUPAC Name3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one
SMILESO=c1oc2cc3ccccc3cc2cc1-c1cccc2c1Nc1ccccc1O2
InChIInChI=1S/C25H15NO3/c27-25-19(13-17-12-15-6-1-2-7-16(15)14-23(17)29-25)18-8-5-11-22-24(18)26-20-9-3-4-10-21(20)28-22/h1-14,26H
InChIKeyNYHIVJGNDGRAPE-UHFFFAOYSA-N
XLogP6.46
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.40
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one?
The IUPAC name of 3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one (CID 141479451) is 3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one.
What is the SMILES notation for 3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one?
The canonical SMILES for 3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one is O=c1oc2cc3ccccc3cc2cc1-c1cccc2c1Nc1ccccc1O2.
What is the InChIKey of 3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one?
The InChIKey is NYHIVJGNDGRAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15NO3/c27-25-19(13-17-12-15-6-1-2-7-16(15)14-23(17)29-25)18-8-5-11-22-24(18)26-20-9-3-4-10-21(20)28-22/h1-14,26H.
What are the key properties of 3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one?
3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one has a molecular weight of 377.40 g/mol, XLogP of 6.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10H-phenoxazin-1-yl)benzo[g]chromen-2-one is sourced from PubChem (CID 141479451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).