10-(3,5-diisocyanophenyl)phenoxazine

C20H11N3O — CID 159346835

IUPAC10-(3,5-diisocyanophenyl)phenoxazine
SMILES[C-]#[N+]c1cc([N+]#[C-])cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C20H11N3O/c1-21-14-11-15(22-2)13-16(12-14)23-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)23/h3-13H
InChIKeyUSXNZSKVAMXNJM-UHFFFAOYSA-N
MW309.33 g/mol
LogP6.36
Rot. Bonds1

About 10-(3,5-diisocyanophenyl)phenoxazine

10-(3,5-diisocyanophenyl)phenoxazine (PubChem CID 159346835) has the molecular formula C20H11N3O and a molecular weight of 309.33 g/mol. Its IUPAC name is 10-(3,5-diisocyanophenyl)phenoxazine.

Molecular Properties

Compound Name10-(3,5-diisocyanophenyl)phenoxazine
PubChem CID159346835
Molecular FormulaC20H11N3O
Molecular Weight309.33 g/mol
Exact Mass309.09
IUPAC Name10-(3,5-diisocyanophenyl)phenoxazine
SMILES[C-]#[N+]c1cc([N+]#[C-])cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C20H11N3O/c1-21-14-11-15(22-2)13-16(12-14)23-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)23/h3-13H
InChIKeyUSXNZSKVAMXNJM-UHFFFAOYSA-N
XLogP6.36
TPSA21.19 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.33
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-(3,5-diisocyanophenyl)phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
ethane;10-phenylphenoxazine
CID 123756019
3-(3-amino-5-phenoxazin-10-ylphenyl)-5-phenoxazin-10-ylaniline
CID 129291729
10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 140731455
10-(4-fluorophenyl)phenoxazine
CID 141389969
10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine
CID 58251203
10-[3,5-di(pyrimidin-5-yl)phenyl]phenoxazine
CID 58251220
10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine
CID 58251173
2-phenoxazin-10-ylthianthrene 5,5,10,10-tetraoxide
CID 144851825
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129291614
4-[3-(4-cyanophenyl)-5-(4-isocyanophenyl)-2,4,6-tri(phenoxazin-10-yl)phenyl]benzonitrile
CID 140878435

Frequently Asked Questions

What is the IUPAC name of 10-(3,5-diisocyanophenyl)phenoxazine?
The IUPAC name of 10-(3,5-diisocyanophenyl)phenoxazine (CID 159346835) is 10-(3,5-diisocyanophenyl)phenoxazine.
What is the SMILES notation for 10-(3,5-diisocyanophenyl)phenoxazine?
The canonical SMILES for 10-(3,5-diisocyanophenyl)phenoxazine is [C-]#[N+]c1cc([N+]#[C-])cc(N2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 10-(3,5-diisocyanophenyl)phenoxazine?
The InChIKey is USXNZSKVAMXNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N3O/c1-21-14-11-15(22-2)13-16(12-14)23-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)23/h3-13H.
What are the key properties of 10-(3,5-diisocyanophenyl)phenoxazine?
10-(3,5-diisocyanophenyl)phenoxazine has a molecular weight of 309.33 g/mol, XLogP of 6.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,5-diisocyanophenyl)phenoxazine is sourced from PubChem (CID 159346835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).