bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium

C46H33F4IrN3O2P2-2 — CID 139242614

IUPACbis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium
SMILESFc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Ir]
InChIInChI=1S/C24H21NO2P2.2C11H6F2N.Ir/c26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h1-20,26H;2*1-4,6-7H;/q;2*-1;
InChIKeyMHQXIAVTRDJFDB-UHFFFAOYSA-N
MW989.95 g/mol
LogP10.33
Rot. Bonds7

About bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium

bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium (PubChem CID 139242614) has the molecular formula C46H33F4IrN3O2P2-2 and a molecular weight of 989.95 g/mol. Its IUPAC name is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium.

Molecular Properties

Compound Namebis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium
PubChem CID139242614
Molecular FormulaC46H33F4IrN3O2P2-2
Molecular Weight989.95 g/mol
Exact Mass990.16
IUPAC Namebis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium
SMILESFc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Ir]
InChIInChI=1S/C24H21NO2P2.2C11H6F2N.Ir/c26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h1-20,26H;2*1-4,6-7H;/q;2*-1;
InChIKeyMHQXIAVTRDJFDB-UHFFFAOYSA-N
XLogP10.33
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.95
LogP ≤ 510.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[Bis(diphenylphosphoryl)methyl]pyridine
CID 1900770
Tris[2-(2,4-difluorophenyl)pyridine]iridium(III)
CID 11491171
N-diphenylphosphoryl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 71520487
Diphenylphosphorylimino-hydroxy-diphenyl-lambda5-phosphane;iridium;bis(2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine)
CID 139242613
Tris[(2-(2-pyridinyl-KN)-5-(trifluoromethyl)phenyl-KC]iridium(III)
CID 156620958
Dichlororuthenium; 4-diphenylphosphanylbutyl(diphenyl)phosphane; 2-(2-pyridyl)pyridine
CID 12028300
N,N-bis(diphenylphosphanyl)-1-pyridin-2-ylmethanamine
CID 102076311
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium(3+)
CID 54719763
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;carbanide;iridium;triphenylphosphanium
CID 57644980
Benzene;2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;iridium;triphenylphosphanium
CID 57645009
5-Bis(4-fluorophenyl)phosphoryl-2-[5-bis(4-fluorophenyl)phosphoryl-2-pyridinyl]pyridine
CID 88865174
5-Bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine
CID 88865179

Frequently Asked Questions

What is the IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium?
The IUPAC name of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium (CID 139242614) is bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium.
What is the SMILES notation for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium?
The canonical SMILES for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium is Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=P(N=P(O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Ir].
What is the InChIKey of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium?
The InChIKey is MHQXIAVTRDJFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2P2.2C11H6F2N.Ir/c26-28(21-13-5-1-6-14-21,22-15-7-2-8-16-22)25-29(27,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h1-20,26H;2*1-4,6-7H;/q;2*-1;.
What are the key properties of bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium?
bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium has a molecular weight of 989.95 g/mol, XLogP of 10.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenylphosphorylimino-hydroxy-diphenyl-λ5-phosphane;iridium is sourced from PubChem (CID 139242614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).