10H-phenoxazine;N-phenylphenoxazin-3-imine

C30H21N3O2 — CID 155125781

IUPAC10H-phenoxazine;N-phenylphenoxazin-3-imine
SMILESc1ccc(/N=c2\ccc3nc4ccccc4oc-3c2)cc1.c1ccc2c(c1)Nc1ccccc1O2
InChIInChI=1S/C18H12N2O.C12H9NO/c1-2-6-13(7-3-1)19-14-10-11-16-18(12-14)21-17-9-5-4-8-15(17)20-16;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-12H;1-8,13H/b19-14+;
InChIKeyDVLLNIRRWIZFSX-UGAWPWHASA-N
MW455.52 g/mol
LogP7.70
Rot. Bonds1

About 10H-phenoxazine;N-phenylphenoxazin-3-imine

10H-phenoxazine;N-phenylphenoxazin-3-imine (PubChem CID 155125781) has the molecular formula C30H21N3O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 10H-phenoxazine;N-phenylphenoxazin-3-imine.

Molecular Properties

Compound Name10H-phenoxazine;N-phenylphenoxazin-3-imine
PubChem CID155125781
Molecular FormulaC30H21N3O2
Molecular Weight455.52 g/mol
Exact Mass455.16
IUPAC Name10H-phenoxazine;N-phenylphenoxazin-3-imine
SMILESc1ccc(/N=c2\ccc3nc4ccccc4oc-3c2)cc1.c1ccc2c(c1)Nc1ccccc1O2
InChIInChI=1S/C18H12N2O.C12H9NO/c1-2-6-13(7-3-1)19-14-10-11-16-18(12-14)21-17-9-5-4-8-15(17)20-16;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-12H;1-8,13H/b19-14+;
InChIKeyDVLLNIRRWIZFSX-UGAWPWHASA-N
XLogP7.70
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.52
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10H-phenoxazine;N-phenylphenoxazin-3-imine?
The IUPAC name of 10H-phenoxazine;N-phenylphenoxazin-3-imine (CID 155125781) is 10H-phenoxazine;N-phenylphenoxazin-3-imine.
What is the SMILES notation for 10H-phenoxazine;N-phenylphenoxazin-3-imine?
The canonical SMILES for 10H-phenoxazine;N-phenylphenoxazin-3-imine is c1ccc(/N=c2\ccc3nc4ccccc4oc-3c2)cc1.c1ccc2c(c1)Nc1ccccc1O2.
What is the InChIKey of 10H-phenoxazine;N-phenylphenoxazin-3-imine?
The InChIKey is DVLLNIRRWIZFSX-UGAWPWHASA-N. The full InChI is InChI=1S/C18H12N2O.C12H9NO/c1-2-6-13(7-3-1)19-14-10-11-16-18(12-14)21-17-9-5-4-8-15(17)20-16;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-12H;1-8,13H/b19-14+;.
What are the key properties of 10H-phenoxazine;N-phenylphenoxazin-3-imine?
10H-phenoxazine;N-phenylphenoxazin-3-imine has a molecular weight of 455.52 g/mol, XLogP of 7.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenoxazine;N-phenylphenoxazin-3-imine is sourced from PubChem (CID 155125781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).