7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

C34H31IrN2O- — CID 59358252

IUPAC7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCOc1c[c-]c2c(c1-c1c(C)cc(C)cc1C)c1cc(-c3c(C)cccc3C)ccc1n1cc(C)nc21.[Ir]
InChIInChI=1S/C34H31N2O.Ir/c1-19-15-22(4)31(23(5)16-19)33-29(37-7)14-12-26-32(33)27-17-25(30-20(2)9-8-10-21(30)3)11-13-28(27)36-18-24(6)35-34(26)36;/h8-11,13-18H,1-7H3;/q-1;
InChIKeyILFPGJPJKHTIGX-UHFFFAOYSA-N
MW675.85 g/mol
LogP8.63
Rot. Bonds3

About 7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (PubChem CID 59358252) has the molecular formula C34H31IrN2O- and a molecular weight of 675.85 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
PubChem CID59358252
Molecular FormulaC34H31IrN2O-
Molecular Weight675.85 g/mol
Exact Mass676.21
IUPAC Name7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCOc1c[c-]c2c(c1-c1c(C)cc(C)cc1C)c1cc(-c3c(C)cccc3C)ccc1n1cc(C)nc21.[Ir]
InChIInChI=1S/C34H31N2O.Ir/c1-19-15-22(4)31(23(5)16-19)33-29(37-7)14-12-26-32(33)27-17-25(30-20(2)9-8-10-21(30)3)11-13-28(27)36-18-24(6)35-34(26)36;/h8-11,13-18H,1-7H3;/q-1;
InChIKeyILFPGJPJKHTIGX-UHFFFAOYSA-N
XLogP8.63
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.85
LogP ≤ 58.63
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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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The IUPAC name of 7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (CID 59358252) is 7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The canonical SMILES for 7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is COc1c[c-]c2c(c1-c1c(C)cc(C)cc1C)c1cc(-c3c(C)cccc3C)ccc1n1cc(C)nc21.[Ir].
What is the InChIKey of 7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The InChIKey is ILFPGJPJKHTIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N2O.Ir/c1-19-15-22(4)31(23(5)16-19)33-29(37-7)14-12-26-32(33)27-17-25(30-20(2)9-8-10-21(30)3)11-13-28(27)36-18-24(6)35-34(26)36;/h8-11,13-18H,1-7H3;/q-1;.
What are the key properties of 7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
7-(2,6-dimethylphenyl)-10-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium has a molecular weight of 675.85 g/mol, XLogP of 8.63, 3 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-methoxy-2-methyl-9-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is sourced from PubChem (CID 59358252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).