3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine

C34H37IrN5-2 — CID 58163114

IUPAC3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine
SMILESCC(C)(C)Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(CC(C)(C)C)n21.Cc1ncc(-c2ccccn2)[n-]1.[Ir]
InChIInChI=1S/C25H29N2.C9H8N3.Ir/c1-24(2,3)14-17-11-12-22-21(13-17)19-9-7-8-10-20(19)23-26-16-18(27(22)23)15-25(4,5)6;1-7-11-6-9(12-7)8-4-2-3-5-10-8;/h7-9,11-13,16H,14-15H2,1-6H3;2-6H,1H3;/q2*-1;
InChIKeyWHAKXMMUYNLDIZ-UHFFFAOYSA-N
MW707.92 g/mol
LogP8.02
Rot. Bonds3

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

3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine (PubChem CID 58163114) has the molecular formula C34H37IrN5-2 and a molecular weight of 707.92 g/mol. Its IUPAC name is 3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine.

Molecular Properties

Compound Name3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine
PubChem CID58163114
Molecular FormulaC34H37IrN5-2
Molecular Weight707.92 g/mol
Exact Mass708.27
IUPAC Name3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine
SMILESCC(C)(C)Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(CC(C)(C)C)n21.Cc1ncc(-c2ccccn2)[n-]1.[Ir]
InChIInChI=1S/C25H29N2.C9H8N3.Ir/c1-24(2,3)14-17-11-12-22-21(13-17)19-9-7-8-10-20(19)23-26-16-18(27(22)23)15-25(4,5)6;1-7-11-6-9(12-7)8-4-2-3-5-10-8;/h7-9,11-13,16H,14-15H2,1-6H3;2-6H,1H3;/q2*-1;
InChIKeyWHAKXMMUYNLDIZ-UHFFFAOYSA-N
XLogP8.02
TPSA57.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.92
LogP ≤ 58.02
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 3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine 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

3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 160881462
3,7-bis(2,2-dimethylpropyl)imidazo[1,2-f]phenanthridine
CID 58163115
7-(2,2-dimethylpropyl)-3-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58162565
carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium
CID 58162789
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
2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium
CID 58162023
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
3-benzyl-7-(4-ethenylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358558
9-[4-[4-[3,6-bis(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(2,2-dimethylpropyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;bis(iridium(3+));methane;hexakis(2-phenylpyridine)
CID 162159905
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
3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58162639
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

Frequently Asked Questions

What is the IUPAC name of 3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine?
The IUPAC name of 3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine (CID 58163114) is 3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine.
What is the SMILES notation for 3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine?
The canonical SMILES for 3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine is CC(C)(C)Cc1ccc2c(c1)c1ccc[c-]c1c1ncc(CC(C)(C)C)n21.Cc1ncc(-c2ccccn2)[n-]1.[Ir].
What is the InChIKey of 3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine?
The InChIKey is WHAKXMMUYNLDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N2.C9H8N3.Ir/c1-24(2,3)14-17-11-12-22-21(13-17)19-9-7-8-10-20(19)23-26-16-18(27(22)23)15-25(4,5)6;1-7-11-6-9(12-7)8-4-2-3-5-10-8;/h7-9,11-13,16H,14-15H2,1-6H3;2-6H,1H3;/q2*-1;.
What are the key properties of 3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine?
3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine has a molecular weight of 707.92 g/mol, XLogP of 8.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;2-(2-methylimidazol-3-id-4-yl)pyridine is sourced from PubChem (CID 58163114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).