iridium;4-phenyl-2H-1,3-oxazine

C10H8IrNO- — CID 58983204

IUPACiridium;4-phenyl-2H-1,3-oxazine
SMILES[Ir].[c-]1ccccc1C1=NCOC=C1
InChIInChI=1S/C10H8NO.Ir/c1-2-4-9(5-3-1)10-6-7-12-8-11-10;/h1-4,6-7H,8H2;/q-1;
InChIKeyPGQFFUSVOFFTOB-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.77
Rot. Bonds1

About iridium;4-phenyl-2H-1,3-oxazine

iridium;4-phenyl-2H-1,3-oxazine (PubChem CID 58983204) has the molecular formula C10H8IrNO- and a molecular weight of 350.40 g/mol. Its IUPAC name is iridium;4-phenyl-2H-1,3-oxazine.

Molecular Properties

Compound Nameiridium;4-phenyl-2H-1,3-oxazine
PubChem CID58983204
Molecular FormulaC10H8IrNO-
Molecular Weight350.40 g/mol
Exact Mass351.02
IUPAC Nameiridium;4-phenyl-2H-1,3-oxazine
SMILES[Ir].[c-]1ccccc1C1=NCOC=C1
InChIInChI=1S/C10H8NO.Ir/c1-2-4-9(5-3-1)10-6-7-12-8-11-10;/h1-4,6-7H,8H2;/q-1;
InChIKeyPGQFFUSVOFFTOB-UHFFFAOYSA-N
XLogP1.77
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze iridium;4-phenyl-2H-1,3-oxazine 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

2H-3,1-Benzoxazine
CID 18354516
3,1-Benzooxazine hydrochloride
CID 68804172
3,1-Benzoxazine hydrobromide
CID 129814186
(1E,3Z,10Z)-7-oxa-19-azatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,8,10,12,14,16,18-nonaene
CID 21887047
7-Oxa-19-azatetracyclo[10.7.0.04,9.013,18]nonadeca-1,3,5,8,10,12,14,16,18-nonaene
CID 53737397
2H-pyrano[4,3-b]pyridine
CID 53748939
2-methoxy-5H-indole
CID 67762343
2-methoxy-7H-indole
CID 70467316
7,8-dihydro-2H-3,1-benzoxazine
CID 91238304
5,8-dihydro-2H-3,1-benzoxazine
CID 91804282
2H-benzo[g][3,1]benzoxazine
CID 139617827
Pyrano[3,4-f]indole
CID 140984959

Frequently Asked Questions

What is the IUPAC name of iridium;4-phenyl-2H-1,3-oxazine?
The IUPAC name of iridium;4-phenyl-2H-1,3-oxazine (CID 58983204) is iridium;4-phenyl-2H-1,3-oxazine.
What is the SMILES notation for iridium;4-phenyl-2H-1,3-oxazine?
The canonical SMILES for iridium;4-phenyl-2H-1,3-oxazine is [Ir].[c-]1ccccc1C1=NCOC=C1.
What is the InChIKey of iridium;4-phenyl-2H-1,3-oxazine?
The InChIKey is PGQFFUSVOFFTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8NO.Ir/c1-2-4-9(5-3-1)10-6-7-12-8-11-10;/h1-4,6-7H,8H2;/q-1;.
What are the key properties of iridium;4-phenyl-2H-1,3-oxazine?
iridium;4-phenyl-2H-1,3-oxazine has a molecular weight of 350.40 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-phenyl-2H-1,3-oxazine is sourced from PubChem (CID 58983204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).