2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

C26H23IrN2- — CID 59358830

IUPAC2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCc1cc(C)c(-c2c(C)nc3c4[c-]cccc4c4ccc(C)cc4n23)c(C)c1.[Ir]
InChIInChI=1S/C26H23N2.Ir/c1-15-10-11-21-20-8-6-7-9-22(20)26-27-19(5)25(28(26)23(21)14-15)24-17(3)12-16(2)13-18(24)4;/h6-8,10-14H,1-5H3;/q-1;
InChIKeyLNMPDUXUILQNGR-UHFFFAOYSA-N
MW555.70 g/mol
LogP6.65
Rot. Bonds1

About 2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (PubChem CID 59358830) has the molecular formula C26H23IrN2- and a molecular weight of 555.70 g/mol. Its IUPAC name is 2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

Molecular Properties

Compound Name2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
PubChem CID59358830
Molecular FormulaC26H23IrN2-
Molecular Weight555.70 g/mol
Exact Mass556.15
IUPAC Name2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCc1cc(C)c(-c2c(C)nc3c4[c-]cccc4c4ccc(C)cc4n23)c(C)c1.[Ir]
InChIInChI=1S/C26H23N2.Ir/c1-15-10-11-21-20-8-6-7-9-22(20)26-27-19(5)25(28(26)23(21)14-15)24-17(3)12-16(2)13-18(24)4;/h6-8,10-14H,1-5H3;/q-1;
InChIKeyLNMPDUXUILQNGR-UHFFFAOYSA-N
XLogP6.65
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.70
LogP ≤ 56.65
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

3-(2,6-dimethyl-4-phenylphenyl)-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358756
3-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358464
2-methyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 59358732
3-(2,6-dimethylphenyl)-2-[2-[3-(2,6-dimethylphenyl)-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-id-2-yl]ethyl]-7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 58202889
iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358238
bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58163088
3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 58943938
2-[2,6-dimethyl-4-(2-methylbutyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+);2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 59358319
magnesium;5,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iodide
CID 58162949
magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride
CID 58163278
2-methyl-6-(2,4,6-trimethylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652117

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The IUPAC name of 2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (CID 59358830) is 2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.
What is the SMILES notation for 2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The canonical SMILES for 2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is Cc1cc(C)c(-c2c(C)nc3c4[c-]cccc4c4ccc(C)cc4n23)c(C)c1.[Ir].
What is the InChIKey of 2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The InChIKey is LNMPDUXUILQNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N2.Ir/c1-15-10-11-21-20-8-6-7-9-22(20)26-27-19(5)25(28(26)23(21)14-15)24-17(3)12-16(2)13-18(24)4;/h6-8,10-14H,1-5H3;/q-1;.
What are the key properties of 2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium has a molecular weight of 555.70 g/mol, XLogP of 6.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is sourced from PubChem (CID 59358830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).