6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

C16H10FIrN2- — CID 59358238

IUPAC6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCc1cnc2c3[c-]cccc3c3ccc(F)cc3n12.[Ir]
InChIInChI=1S/C16H10FN2.Ir/c1-10-9-18-16-14-5-3-2-4-12(14)13-7-6-11(17)8-15(13)19(10)16;/h2-4,6-9H,1H3;/q-1;
InChIKeyYUBWWIWVAIBITC-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.89
Rot. Bonds

About 6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (PubChem CID 59358238) has the molecular formula C16H10FIrN2- and a molecular weight of 441.49 g/mol. Its IUPAC name is 6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

Molecular Properties

Compound Name6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
PubChem CID59358238
Molecular FormulaC16H10FIrN2-
Molecular Weight441.49 g/mol
Exact Mass442.05
IUPAC Name6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCc1cnc2c3[c-]cccc3c3ccc(F)cc3n12.[Ir]
InChIInChI=1S/C16H10FN2.Ir/c1-10-9-18-16-14-5-3-2-4-12(14)13-7-6-11(17)8-15(13)19(10)16;/h2-4,6-9H,1H3;/q-1;
InChIKeyYUBWWIWVAIBITC-UHFFFAOYSA-N
XLogP3.89
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.89
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 58944095
CID 58944095
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
carbanide;3-(2-carbazol-9-ylpropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium
CID 58162789
3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58943938
CID 59359158
CID 59359158
magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride
CID 58163278
2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358830
carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium
CID 58162748
3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358464
5-tert-butyl-8-fluoro-3-methylimidazo[1,2-c]quinazoline
CID 71180322
1-bromo-8-fluoro-5-methylimidazo[1,2-a]quinoline
CID 115051374
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 6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The IUPAC name of 6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (CID 59358238) is 6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.
What is the SMILES notation for 6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The canonical SMILES for 6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is Cc1cnc2c3[c-]cccc3c3ccc(F)cc3n12.[Ir].
What is the InChIKey of 6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The InChIKey is YUBWWIWVAIBITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN2.Ir/c1-10-9-18-16-14-5-3-2-4-12(14)13-7-6-11(17)8-15(13)19(10)16;/h2-4,6-9H,1H3;/q-1;.
What are the key properties of 6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium has a molecular weight of 441.49 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is sourced from PubChem (CID 59358238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).