iridium;bis(1-phenylisoquinoline)

C30H20IrN2-2 — CID 20747770

IUPACiridium;bis(1-phenylisoquinoline)
SMILES[Ir].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/2C15H10N.Ir/c2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h2*1-7,9-11H;/q2*-1;
InChIKeyJEFDQVICMNURDZ-UHFFFAOYSA-N
MW600.72 g/mol
LogP7.40
Rot. Bonds2

About iridium;bis(1-phenylisoquinoline)

iridium;bis(1-phenylisoquinoline) (PubChem CID 20747770) has the molecular formula C30H20IrN2-2 and a molecular weight of 600.72 g/mol. Its IUPAC name is iridium;bis(1-phenylisoquinoline).

Molecular Properties

Compound Nameiridium;bis(1-phenylisoquinoline)
PubChem CID20747770
Molecular FormulaC30H20IrN2-2
Molecular Weight600.72 g/mol
Exact Mass601.13
IUPAC Nameiridium;bis(1-phenylisoquinoline)
SMILES[Ir].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/2C15H10N.Ir/c2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h2*1-7,9-11H;/q2*-1;
InChIKeyJEFDQVICMNURDZ-UHFFFAOYSA-N
XLogP7.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.72
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Phenylisoquinoline
CID 609614
1-Phenylisoquinoline
CID 137882
Indeno(1,2,3-ij)(2,7)naphthyridine
CID 72486
2-[(E)-2-pyridin-3-ylethenyl]quinoline
CID 5376707
4-(3,4-Dihydro-1H-isoquinolin-2-yl)-quinoline
CID 18326767
2-Methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186429
2-Isoquinolin-3-ylquinoline
CID 620696
1-(2-(1-Benzylpiperidin-4-yl)ethyl)isoquinoline
CID 9996767
Benzindopyrine
CID 21770
9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline
CID 46223113
9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
CID 46223112
1-(2-(1H-Indol-3-yl)vinyl)isoquinoline
CID 5940197

Frequently Asked Questions

What is the IUPAC name of iridium;bis(1-phenylisoquinoline)?
The IUPAC name of iridium;bis(1-phenylisoquinoline) (CID 20747770) is iridium;bis(1-phenylisoquinoline).
What is the SMILES notation for iridium;bis(1-phenylisoquinoline)?
The canonical SMILES for iridium;bis(1-phenylisoquinoline) is [Ir].[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.
What is the InChIKey of iridium;bis(1-phenylisoquinoline)?
The InChIKey is JEFDQVICMNURDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H10N.Ir/c2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h2*1-7,9-11H;/q2*-1;.
What are the key properties of iridium;bis(1-phenylisoquinoline)?
iridium;bis(1-phenylisoquinoline) has a molecular weight of 600.72 g/mol, XLogP of 7.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;bis(1-phenylisoquinoline) is sourced from PubChem (CID 20747770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).