4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium

C24H18BrIrN2O- — CID 155646404

IUPAC4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium
SMILESCc1cc(C)c(-n2cc(Br)nc2-c2[c-]ccc3c2oc2ccccc23)c(C)c1.[Ir]
InChIInChI=1S/C24H18BrN2O.Ir/c1-14-11-15(2)22(16(3)12-14)27-13-21(25)26-24(27)19-9-6-8-18-17-7-4-5-10-20(17)28-23(18)19;/h4-8,10-13H,1-3H3;/q-1;
InChIKeyPFMUSNCPQZAEIB-UHFFFAOYSA-N
MW622.54 g/mol
LogP6.92
Rot. Bonds2

About 4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium

4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium (PubChem CID 155646404) has the molecular formula C24H18BrIrN2O- and a molecular weight of 622.54 g/mol. Its IUPAC name is 4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium.

Molecular Properties

Compound Name4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium
PubChem CID155646404
Molecular FormulaC24H18BrIrN2O-
Molecular Weight622.54 g/mol
Exact Mass622.02
IUPAC Name4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium
SMILESCc1cc(C)c(-n2cc(Br)nc2-c2[c-]ccc3c2oc2ccccc23)c(C)c1.[Ir]
InChIInChI=1S/C24H18BrN2O.Ir/c1-14-11-15(2)22(16(3)12-14)27-13-21(25)26-24(27)19-9-6-8-18-17-7-4-5-10-20(17)28-23(18)19;/h4-8,10-13H,1-3H3;/q-1;
InChIKeyPFMUSNCPQZAEIB-UHFFFAOYSA-N
XLogP6.92
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.54
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

tris(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);iridium(3+)
CID 171576778
6-(3H-dibenzofuran-3-id-4-yl)-2-(2,4,6-trimethylphenyl)furo[2,3-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628678
6-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)-7-[2,6-di(propan-2-yl)phenyl]-2-methylimidazo[4,5-c]azaborinine;iridium
CID 166043807
2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;2-methyl-6-phenylpyridine
CID 155625049
2-(3H-dibenzofuran-3-id-4-yl)-6-[3-[6-(3H-dibenzofuran-3-id-4-yl)-2-pyridinyl]phenyl]pyridine;platinum(2+)
CID 159576049
2-(3H-dibenzofuran-3-id-4-yl)-1,5,7-trimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 167355072
3-(3H-dibenzofuran-3-id-4-yl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene;iridium
CID 59621431
tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium
CID 176870121
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium
CID 171576776
2-(3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)pyridine;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 164712144
2-(3H-dibenzofuran-3-id-4-yl)-1,5-dimethylimidazo[4,5-b]pyridine;iridium;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]silane
CID 156657158
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)benzimidazole;iridium;trimethyl-[4-methyl-6-(4-methylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 156658214

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium?
The IUPAC name of 4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium (CID 155646404) is 4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium.
What is the SMILES notation for 4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium?
The canonical SMILES for 4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium is Cc1cc(C)c(-n2cc(Br)nc2-c2[c-]ccc3c2oc2ccccc23)c(C)c1.[Ir].
What is the InChIKey of 4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium?
The InChIKey is PFMUSNCPQZAEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN2O.Ir/c1-14-11-15(2)22(16(3)12-14)27-13-21(25)26-24(27)19-9-6-8-18-17-7-4-5-10-20(17)28-23(18)19;/h4-8,10-13H,1-3H3;/q-1;.
What are the key properties of 4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium?
4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium has a molecular weight of 622.54 g/mol, XLogP of 6.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3H-dibenzofuran-3-id-4-yl)-1-(2,4,6-trimethylphenyl)imidazole;iridium is sourced from PubChem (CID 155646404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).