iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide

C21H13IrN2- — CID 59359036

IUPACiridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide
SMILES[Ir].[c-]1ccc(-c2ccccc2)c2c3ccccc3c3ccnn3c12
InChIInChI=1S/C21H13N2.Ir/c1-2-7-15(8-3-1)16-11-6-12-20-21(16)18-10-5-4-9-17(18)19-13-14-22-23(19)20;/h1-11,13-14H;/q-1;
InChIKeyGXRUZSKRICTERB-UHFFFAOYSA-N
MW485.57 g/mol
LogP5.11
Rot. Bonds1

About iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide

iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide (PubChem CID 59359036) has the molecular formula C21H13IrN2- and a molecular weight of 485.57 g/mol. Its IUPAC name is iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide.

Molecular Properties

Compound Nameiridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide
PubChem CID59359036
Molecular FormulaC21H13IrN2-
Molecular Weight485.57 g/mol
Exact Mass486.07
IUPAC Nameiridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide
SMILES[Ir].[c-]1ccc(-c2ccccc2)c2c3ccccc3c3ccnn3c12
InChIInChI=1S/C21H13N2.Ir/c1-2-7-15(8-3-1)16-11-6-12-20-21(16)18-10-5-4-9-17(18)19-13-14-22-23(19)20;/h1-11,13-14H;/q-1;
InChIKeyGXRUZSKRICTERB-UHFFFAOYSA-N
XLogP5.11
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.57
LogP ≤ 55.11
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

CID 59359420
CID 59359420
9-(9-ethylcarbazol-3-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;iridium
CID 59358758
5,6-bis(4-chlorophenyl)pyrazolo[5,1-a]isoquinoline
CID 56648998
6-carbazol-9-ylpyrazolo[1,5-f]phenanthridine
CID 59358302
9-(4-phenyl-3-pyridinyl)carbazole
CID 145009934
3-thia-7,8-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene
CID 59359205
10-methyl-5,6-diphenylpyrazolo[5,1-a]isoquinoline
CID 56649085
6,14-bis(2-phenylphenyl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 164528269
9-phenylimidazo[1,2-f]phenanthridine
CID 59358454
4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
CID 118014141
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6,7,18-tetrazapentacyclo[13.2.1.05,17.06,10.011,16]octadeca-1,3,5(17),7,9,11(16),12,14-octaene
CID 118205034
5,8-bis(4-phenylphenyl)benzo[c]phenanthrene
CID 58526355

Frequently Asked Questions

What is the IUPAC name of iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide?
The IUPAC name of iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide (CID 59359036) is iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide.
What is the SMILES notation for iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide?
The canonical SMILES for iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide is [Ir].[c-]1ccc(-c2ccccc2)c2c3ccccc3c3ccnn3c12.
What is the InChIKey of iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide?
The InChIKey is GXRUZSKRICTERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N2.Ir/c1-2-7-15(8-3-1)16-11-6-12-20-21(16)18-10-5-4-9-17(18)19-13-14-22-23(19)20;/h1-11,13-14H;/q-1;.
What are the key properties of iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide?
iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide has a molecular weight of 485.57 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;8-phenyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide is sourced from PubChem (CID 59359036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).