iridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one

C16H8IrNO2- — CID 59342938

IUPACiridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one
SMILESO=c1oc2c3ccccc3cnc2c2[c-]cccc12.[Ir]
InChIInChI=1S/C16H8NO2.Ir/c18-16-13-8-4-3-7-12(13)14-15(19-16)11-6-2-1-5-10(11)9-17-14;/h1-6,8-9H;/q-1;
InChIKeyOJYDRCSSTVAAFC-UHFFFAOYSA-N
MW438.46 g/mol
LogP3.29
Rot. Bonds

About iridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one

iridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one (PubChem CID 59342938) has the molecular formula C16H8IrNO2- and a molecular weight of 438.46 g/mol. Its IUPAC name is iridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one.

Molecular Properties

Compound Nameiridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one
PubChem CID59342938
Molecular FormulaC16H8IrNO2-
Molecular Weight438.46 g/mol
Exact Mass439.02
IUPAC Nameiridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one
SMILESO=c1oc2c3ccccc3cnc2c2[c-]cccc12.[Ir]
InChIInChI=1S/C16H8NO2.Ir/c18-16-13-8-4-3-7-12(13)14-15(19-16)11-6-2-1-5-10(11)9-17-14;/h1-6,8-9H;/q-1;
InChIKeyOJYDRCSSTVAAFC-UHFFFAOYSA-N
XLogP3.29
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,4-Dimethylbenzoic acid (6-methyl-3-pyridinyl) ester
CID 3242485
3-(2-(Diethylamino)ethoxy)-7H-dibenzo[de,h]quinolin-7-one
CID 53231530
3-(2-(Pyrrolidin-1-yl)ethoxy)-7H-dibenzo[de,h]quinolin-7-one
CID 53231531
3-(2-(Piperidin-1-yl)ethoxy)-7H-dibenzo[de,h]quinolin-7-one
CID 53231532
Trimethyl-[2-[(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-14-yl)oxy]ethyl]azanium iodide
CID 53231533
Diethyl-methyl-[2-[(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-14-yl)oxy]ethyl]azanium iodide
CID 53231535
3-(2-(Dimethylamino)ethoxy)-7H-dibenzo[de,h]quinolin-7-one
CID 53231529
8-(2-Methylphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one
CID 134807930
8-(2-Methylphenyl)-2-pyridin-4-ylpyrano[2,3-c]pyridin-4-one
CID 134809209
Quinolin-8-yl 2-methylbenzoate
CID 747327
(3-Phenylisoquinolin-4-yl) 2-(4-fluorophenyl)acetate
CID 71659281
3-Phenyl-2h-pyrano[3,2-c]quinolin-2-one
CID 132277988

Frequently Asked Questions

What is the IUPAC name of iridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one?
The IUPAC name of iridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one (CID 59342938) is iridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one.
What is the SMILES notation for iridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one?
The canonical SMILES for iridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one is O=c1oc2c3ccccc3cnc2c2[c-]cccc12.[Ir].
What is the InChIKey of iridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one?
The InChIKey is OJYDRCSSTVAAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8NO2.Ir/c18-16-13-8-4-3-7-12(13)14-15(19-16)11-6-2-1-5-10(11)9-17-14;/h1-6,8-9H;/q-1;.
What are the key properties of iridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one?
iridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one has a molecular weight of 438.46 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;10H-isochromeno[4,3-c]isoquinolin-10-id-6-one is sourced from PubChem (CID 59342938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).