iridium;phenanthridine-6-carboxylic acid

C14H9IrNO2 — CID 59015465

IUPACiridium;phenanthridine-6-carboxylic acid
SMILESO=C(O)c1nc2ccccc2c2ccccc12.[Ir]
InChIInChI=1S/C14H9NO2.Ir/c16-14(17)13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13;/h1-8H,(H,16,17);
InChIKeyLANKWOCNBVWCBR-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.08
Rot. Bonds1

About iridium;phenanthridine-6-carboxylic acid

iridium;phenanthridine-6-carboxylic acid (PubChem CID 59015465) has the molecular formula C14H9IrNO2 and a molecular weight of 415.45 g/mol. Its IUPAC name is iridium;phenanthridine-6-carboxylic acid.

Molecular Properties

Compound Nameiridium;phenanthridine-6-carboxylic acid
PubChem CID59015465
Molecular FormulaC14H9IrNO2
Molecular Weight415.45 g/mol
Exact Mass416.03
IUPAC Nameiridium;phenanthridine-6-carboxylic acid
SMILESO=C(O)c1nc2ccccc2c2ccccc12.[Ir]
InChIInChI=1S/C14H9NO2.Ir/c16-14(17)13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13;/h1-8H,(H,16,17);
InChIKeyLANKWOCNBVWCBR-UHFFFAOYSA-N
XLogP3.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-aminophenanthridine-6-carboxylic acid
CID 131861121
carbazol-9-yl(phenanthridin-6-yl)methanone
CID 139193554
N-tert-butylphenanthridine-6-carboxamide
CID 102585131
4-phenylquinoline-2,3-dicarboxylic acid
CID 23469806
3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid
CID 704860
3,4-dimethoxyisoquinoline-1-carboxylic acid
CID 91217863
formic acid;quinoline-2,3-dicarboxylic acid
CID 174725095
[1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid
CID 15648100
3-phenoxyquinoxaline-2-carboxylic acid
CID 13004258
benzo[b]phenazine-6,11-dicarboxylic acid
CID 154692279
3-phenylisoquinoline-1-carboxylic acid
CID 13336383
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950

Frequently Asked Questions

What is the IUPAC name of iridium;phenanthridine-6-carboxylic acid?
The IUPAC name of iridium;phenanthridine-6-carboxylic acid (CID 59015465) is iridium;phenanthridine-6-carboxylic acid.
What is the SMILES notation for iridium;phenanthridine-6-carboxylic acid?
The canonical SMILES for iridium;phenanthridine-6-carboxylic acid is O=C(O)c1nc2ccccc2c2ccccc12.[Ir].
What is the InChIKey of iridium;phenanthridine-6-carboxylic acid?
The InChIKey is LANKWOCNBVWCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2.Ir/c16-14(17)13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13;/h1-8H,(H,16,17);.
What are the key properties of iridium;phenanthridine-6-carboxylic acid?
iridium;phenanthridine-6-carboxylic acid has a molecular weight of 415.45 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;phenanthridine-6-carboxylic acid is sourced from PubChem (CID 59015465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).