1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

C42H42F2IrN4-2 — CID 58162877

IUPAC1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)c(CC(C)(C)C)cc3n12.Fc1c[c-]c(-n2cccn2)c(F)c1.[Ir]
InChIInChI=1S/C33H37N2.C9H5F2N2.Ir/c1-21-12-11-13-22(2)30(21)29-20-34-31-26-15-10-9-14-25(26)27-16-23(18-32(3,4)5)24(19-33(6,7)8)17-28(27)35(29)31;10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;/h9-14,16-17,20H,18-19H2,1-8H3;1-2,4-6H;/q2*-1;
InChIKeyQDHAWUDFEIIVNF-UHFFFAOYSA-N
MW833.04 g/mol
LogP10.85
Rot. Bonds4

About 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (PubChem CID 58162877) has the molecular formula C42H42F2IrN4-2 and a molecular weight of 833.04 g/mol. Its IUPAC name is 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

Molecular Properties

Compound Name1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
PubChem CID58162877
Molecular FormulaC42H42F2IrN4-2
Molecular Weight833.04 g/mol
Exact Mass833.30
IUPAC Name1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)c(CC(C)(C)C)cc3n12.Fc1c[c-]c(-n2cccn2)c(F)c1.[Ir]
InChIInChI=1S/C33H37N2.C9H5F2N2.Ir/c1-21-12-11-13-22(2)30(21)29-20-34-31-26-15-10-9-14-25(26)27-16-23(18-32(3,4)5)24(19-33(6,7)8)17-28(27)35(29)31;10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;/h9-14,16-17,20H,18-19H2,1-8H3;1-2,4-6H;/q2*-1;
InChIKeyQDHAWUDFEIIVNF-UHFFFAOYSA-N
XLogP10.85
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.04
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;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

magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride
CID 58163278
6,7-bis(2,2-dimethylpropyl)-3-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;carbanide;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;6,7-dimethyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;tetrakis(iridium);tetrakis(yttrium)
CID 157352487
3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine
CID 140584992
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
7-(2,2-dimethylpropyl)-3-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58162565
3,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;5,10-difluoro-2-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoro-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-10-(trifluoromethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,2-dimethylpropyl)-3-(2,3,4,5,6-pentafluorophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);7,9,10-trifluoro-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 160784608
7,10-ditert-butyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-diphenylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium)
CID 160958358
3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58943938
6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358238
7,10-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;pentakis(iridium);7-methyl-5-(4-methylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;7-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158846855
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;1-(2,6-dimethylphenyl)-2-phenylimidazole;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;pentakis(iridium);2-phenylpyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 158170112
2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;3-(2,6-diphenylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58162931

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The IUPAC name of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (CID 58162877) is 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.
What is the SMILES notation for 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The canonical SMILES for 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is Cc1cccc(C)c1-c1cnc2c3[c-]cccc3c3cc(CC(C)(C)C)c(CC(C)(C)C)cc3n12.Fc1c[c-]c(-n2cccn2)c(F)c1.[Ir].
What is the InChIKey of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The InChIKey is QDHAWUDFEIIVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N2.C9H5F2N2.Ir/c1-21-12-11-13-22(2)30(21)29-20-34-31-26-15-10-9-14-25(26)27-16-23(18-32(3,4)5)24(19-33(6,7)8)17-28(27)35(29)31;10-7-2-3-9(8(11)6-7)13-5-1-4-12-13;/h9-14,16-17,20H,18-19H2,1-8H3;1-2,4-6H;/q2*-1;.
What are the key properties of 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium has a molecular weight of 833.04 g/mol, XLogP of 10.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;3-(2,6-dimethylphenyl)-6,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is sourced from PubChem (CID 58162877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).