7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

C29H22IrN3- — CID 59359096

IUPAC7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCc1cccc(C)c1-c1ccc2c(c1)c1c(-c3ccccn3)c(C)c[c-]c1c1nccn21.[Ir]
InChIInChI=1S/C29H22N3.Ir/c1-18-7-6-8-19(2)26(18)21-11-13-25-23(17-21)28-22(29-31-15-16-32(25)29)12-10-20(3)27(28)24-9-4-5-14-30-24;/h4-11,13-17H,1-3H3;/q-1;
InChIKeyOFTMILOWAZAUEA-UHFFFAOYSA-N
MW604.73 g/mol
LogP7.09
Rot. Bonds2

About 7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (PubChem CID 59359096) has the molecular formula C29H22IrN3- and a molecular weight of 604.73 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
PubChem CID59359096
Molecular FormulaC29H22IrN3-
Molecular Weight604.73 g/mol
Exact Mass605.14
IUPAC Name7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCc1cccc(C)c1-c1ccc2c(c1)c1c(-c3ccccn3)c(C)c[c-]c1c1nccn21.[Ir]
InChIInChI=1S/C29H22N3.Ir/c1-18-7-6-8-19(2)26(18)21-11-13-25-23(17-21)28-22(29-31-15-16-32(25)29)12-10-20(3)27(28)24-9-4-5-14-30-24;/h4-11,13-17H,1-3H3;/q-1;
InChIKeyOFTMILOWAZAUEA-UHFFFAOYSA-N
XLogP7.09
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.73
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611141
7-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154610827
CID 154611572
CID 154611572
iridium;7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;praseodymium
CID 59858700
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 154610386
CID 154610386
carbanide;iridium;7-[2,4,6-tri(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;yttrium
CID 58162854
bromozinc(1+);7-methyl-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58163088
12-methylimidazo[1,2-f]phenanthridine
CID 67953611
5,7-bis(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
CID 154611608
5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine
CID 170672592
CID 157359145
CID 157359145

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The IUPAC name of 7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (CID 59359096) is 7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The canonical SMILES for 7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is Cc1cccc(C)c1-c1ccc2c(c1)c1c(-c3ccccn3)c(C)c[c-]c1c1nccn21.[Ir].
What is the InChIKey of 7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The InChIKey is OFTMILOWAZAUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N3.Ir/c1-18-7-6-8-19(2)26(18)21-11-13-25-23(17-21)28-22(29-31-15-16-32(25)29)12-10-20(3)27(28)24-9-4-5-14-30-24;/h4-11,13-17H,1-3H3;/q-1;.
What are the key properties of 7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium has a molecular weight of 604.73 g/mol, XLogP of 7.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-10-methyl-9-pyridin-2-yl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is sourced from PubChem (CID 59359096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).