2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

C22H17IrN4- — CID 59359107

IUPAC2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCc1ncc(-c2cc[c-]c3c2c2ccccc2n2c(C)c(C)nc32)cn1.[Ir]
InChIInChI=1S/C22H17N4.Ir/c1-13-14(2)26-20-10-5-4-7-18(20)21-17(16-11-23-15(3)24-12-16)8-6-9-19(21)22(26)25-13;/h4-8,10-12H,1-3H3;/q-1;
InChIKeyOWGRMDIXXDIKKC-UHFFFAOYSA-N
MW529.62 g/mol
LogP4.82
Rot. Bonds1

About 2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (PubChem CID 59359107) has the molecular formula C22H17IrN4- and a molecular weight of 529.62 g/mol. Its IUPAC name is 2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

Molecular Properties

Compound Name2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
PubChem CID59359107
Molecular FormulaC22H17IrN4-
Molecular Weight529.62 g/mol
Exact Mass530.11
IUPAC Name2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
SMILESCc1ncc(-c2cc[c-]c3c2c2ccccc2n2c(C)c(C)nc32)cn1.[Ir]
InChIInChI=1S/C22H17N4.Ir/c1-13-14(2)26-20-10-5-4-7-18(20)21-17(16-11-23-15(3)24-12-16)8-6-9-19(21)22(26)25-13;/h4-8,10-12H,1-3H3;/q-1;
InChIKeyOWGRMDIXXDIKKC-UHFFFAOYSA-N
XLogP4.82
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;9-(3-isocyanophenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 58943943
10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine
CID 153422736
1,2,4,5-tetramethylimidazo[1,2-a][1,6]naphthyridine
CID 122523467
11-imidazo[1,2-f]phenanthridin-11-yloxy-2,3-dimethylimidazo[1,2-f]phenanthridine
CID 163873412
CID 164704201
CID 164704201
CID 164805325
CID 164805325
iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide
CID 140604477
9-(2,3-dimethylimidazo[1,2-f]phenanthridin-11-yl)oxy-3,4-dimethyl-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 163465409
10-[2-[3-[2-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)phenyl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine
CID 153458073
2,6-dimethyl-3-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
CID 59358830
iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide
CID 140604444
4-chloro-2-methyl-5-phenylpyrimidine
CID 19917991

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The IUPAC name of 2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (CID 59359107) is 2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.
What is the SMILES notation for 2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The canonical SMILES for 2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is Cc1ncc(-c2cc[c-]c3c2c2ccccc2n2c(C)c(C)nc32)cn1.[Ir].
What is the InChIKey of 2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
The InChIKey is OWGRMDIXXDIKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N4.Ir/c1-13-14(2)26-20-10-5-4-7-18(20)21-17(16-11-23-15(3)24-12-16)8-6-9-19(21)22(26)25-13;/h4-8,10-12H,1-3H3;/q-1;.
What are the key properties of 2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?
2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium has a molecular weight of 529.62 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-9-(2-methylpyrimidin-5-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is sourced from PubChem (CID 59359107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).