iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium

C21H12IrN2Pr-2 — CID 59858700

IUPACiridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium
SMILES[Ir].[Pr].[c-]1ccc(-c2ccc3c(c2)c2ccc[c-]c2c2nccn32)cc1
InChIInChI=1S/C21H12N2.Ir.Pr/c1-2-6-15(7-3-1)16-10-11-20-19(14-16)17-8-4-5-9-18(17)21-22-12-13-23(20)21;;/h2-8,10-14H;;/q-2;;
InChIKeyPOYQFYUFKUVZSK-UHFFFAOYSA-N
MW625.47 g/mol
LogP4.91
Rot. Bonds1

About iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium

iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium (PubChem CID 59858700) has the molecular formula C21H12IrN2Pr-2 and a molecular weight of 625.47 g/mol. Its IUPAC name is iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium.

Molecular Properties

Compound Nameiridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium
PubChem CID59858700
Molecular FormulaC21H12IrN2Pr-2
Molecular Weight625.47 g/mol
Exact Mass625.97
IUPAC Nameiridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium
SMILES[Ir].[Pr].[c-]1ccc(-c2ccc3c(c2)c2ccc[c-]c2c2nccn32)cc1
InChIInChI=1S/C21H12N2.Ir.Pr/c1-2-6-15(7-3-1)16-10-11-20-19(14-16)17-8-4-5-9-18(17)21-22-12-13-23(20)21;;/h2-8,10-14H;;/q-2;;
InChIKeyPOYQFYUFKUVZSK-UHFFFAOYSA-N
XLogP4.91
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.47
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58163088
carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162854
carbanide;N,N-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-6-amine;platinum(2+);yttrium
CID 58162663
11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611497
magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide
CID 58162949
6-phenyl-11-[(7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611246
12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-pyridin-2-yl-1-azanida-2-boracyclohexa-3,5-diene
CID 59583141
CID 154610823
CID 154610823
7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59359096
5,7-bis(methylsulfanyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iodozinc(1+)
CID 58163198
CID 58943949
CID 58943949
5-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 58518069

Frequently Asked Questions

What is the IUPAC name of iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium?
The IUPAC name of iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium (CID 59858700) is iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium.
What is the SMILES notation for iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium?
The canonical SMILES for iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium is [Ir].[Pr].[c-]1ccc(-c2ccc3c(c2)c2ccc[c-]c2c2nccn32)cc1.
What is the InChIKey of iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium?
The InChIKey is POYQFYUFKUVZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2.Ir.Pr/c1-2-6-15(7-3-1)16-10-11-20-19(14-16)17-8-4-5-9-18(17)21-22-12-13-23(20)21;;/h2-8,10-14H;;/q-2;;.
What are the key properties of iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium?
iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium has a molecular weight of 625.47 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium is sourced from PubChem (CID 59858700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).