3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

C30H27IrN2- — CID 58943938

IUPAC3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCc1cc(C2CC2)c(-c2cnc3c4[c-]cccc4c4cc(C)c(C)cc4n23)c(C2CC2)c1.[Ir]
InChIInChI=1S/C30H27N2.Ir/c1-17-12-24(20-8-9-20)29(25(13-17)21-10-11-21)28-16-31-30-23-7-5-4-6-22(23)26-14-18(2)19(3)15-27(26)32(28)30;/h4-6,12-16,20-21H,8-11H2,1-3H3;/q-1;
InChIKeyNAERFNZNSCJXJL-UHFFFAOYSA-N
MW607.78 g/mol
LogP7.79
Rot. Bonds3

About 3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (PubChem CID 58943938) has the molecular formula C30H27IrN2- and a molecular weight of 607.78 g/mol. Its IUPAC name is 3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

Molecular Properties

Compound Name3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
PubChem CID58943938
Molecular FormulaC30H27IrN2-
Molecular Weight607.78 g/mol
Exact Mass608.18
IUPAC Name3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCc1cc(C2CC2)c(-c2cnc3c4[c-]cccc4c4cc(C)c(C)cc4n23)c(C2CC2)c1.[Ir]
InChIInChI=1S/C30H27N2.Ir/c1-17-12-24(20-8-9-20)29(25(13-17)21-10-11-21)28-16-31-30-23-7-5-4-6-22(23)26-14-18(2)19(3)15-27(26)32(28)30;/h4-6,12-16,20-21H,8-11H2,1-3H3;/q-1;
InChIKeyNAERFNZNSCJXJL-UHFFFAOYSA-N
XLogP7.79
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.78
LogP ≤ 57.79
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

iridium;7-methyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943914
carbanide;3-(2,6-diphenyl-4-propan-2-ylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;yttrium
CID 58162748
magnesium;3-(2,6-dimethylphenyl)-6,7-bis(2-methylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;chloride
CID 58163278
3-[2,6-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59365993
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
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
CID 58262191
CID 58262191
6-fluoro-3-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358238
3-[2,6-bis(2-methylpropyl)phenyl]imidazo[1,2-f]phenanthridine;3-[2,6-bis(2-methylpropyl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 160802426
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-cyclohexyl-2,6-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358464
2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358830

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The IUPAC name of 3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (CID 58943938) is 3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.
What is the SMILES notation for 3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The canonical SMILES for 3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is Cc1cc(C2CC2)c(-c2cnc3c4[c-]cccc4c4cc(C)c(C)cc4n23)c(C2CC2)c1.[Ir].
What is the InChIKey of 3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The InChIKey is NAERFNZNSCJXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N2.Ir/c1-17-12-24(20-8-9-20)29(25(13-17)21-10-11-21)28-16-31-30-23-7-5-4-6-22(23)26-14-18(2)19(3)15-27(26)32(28)30;/h4-6,12-16,20-21H,8-11H2,1-3H3;/q-1;.
What are the key properties of 3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium has a molecular weight of 607.78 g/mol, XLogP of 7.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dicyclopropyl-4-methylphenyl)-6,7-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is sourced from PubChem (CID 58943938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).