1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium

C20H22IrNO- — CID 140735894

IUPAC1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium
SMILESCC1(C)CN(c2[c-]ccc3c2oc2ccccc23)C(C)(C)C1.[Ir]
InChIInChI=1S/C20H22NO.Ir/c1-19(2)12-20(3,4)21(13-19)16-10-7-9-15-14-8-5-6-11-17(14)22-18(15)16;/h5-9,11H,12-13H2,1-4H3;/q-1;
InChIKeyLKBSEBMQFGWZEK-UHFFFAOYSA-N
MW484.62 g/mol
LogP5.40
Rot. Bonds1

About 1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium

1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium (PubChem CID 140735894) has the molecular formula C20H22IrNO- and a molecular weight of 484.62 g/mol. Its IUPAC name is 1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium.

Molecular Properties

Compound Name1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium
PubChem CID140735894
Molecular FormulaC20H22IrNO-
Molecular Weight484.62 g/mol
Exact Mass485.13
IUPAC Name1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium
SMILESCC1(C)CN(c2[c-]ccc3c2oc2ccccc23)C(C)(C)C1.[Ir]
InChIInChI=1S/C20H22NO.Ir/c1-19(2)12-20(3,4)21(13-19)16-10-7-9-15-14-8-5-6-11-17(14)22-18(15)16;/h5-9,11H,12-13H2,1-4H3;/q-1;
InChIKeyLKBSEBMQFGWZEK-UHFFFAOYSA-N
XLogP5.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.62
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ylium);iridium
CID 176851543
tris(1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide);iridium
CID 176870121
tris(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);iridium(3+)
CID 171576778
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;iridium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide
CID 140735871
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-benzimidazol-2-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide
CID 140808122
1-(3H-dibenzofuran-3-id-4-yl)pyrazole;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;iridium
CID 59858884
carbanide;1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazole;iridium;1-phenyl-3-[3-(3-phenyl-2H-imidazol-2-id-1-yl)propyl]-2H-imidazol-2-ide
CID 156626237
5-ethyl-2,2,4,4-tetramethyl-1-(3-methyldibenzofuran-4-yl)pyrrolidine
CID 146363443
1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2-methylideneimidazole;iridium(3+);2-methylidene-1-[4-(2-methylidene-3-phenylimidazol-1-yl)butyl]-3-phenylimidazole
CID 59469761
iridium;1-(8-methoxy-3H-dibenzofuran-3-id-4-yl)pyrazole
CID 59858963
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium
CID 171576776
2,3,3a,4,5,6,7,7a-octahydro-1H-indene-1,7-diol;1-(3H-dibenzofuran-3-id-4-yl)-3-(2-methylpropyl)-2H-imidazol-2-ide;iridium
CID 170528504

Frequently Asked Questions

What is the IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium?
The IUPAC name of 1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium (CID 140735894) is 1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium.
What is the SMILES notation for 1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium?
The canonical SMILES for 1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium is CC1(C)CN(c2[c-]ccc3c2oc2ccccc23)C(C)(C)C1.[Ir].
What is the InChIKey of 1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium?
The InChIKey is LKBSEBMQFGWZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22NO.Ir/c1-19(2)12-20(3,4)21(13-19)16-10-7-9-15-14-8-5-6-11-17(14)22-18(15)16;/h5-9,11H,12-13H2,1-4H3;/q-1;.
What are the key properties of 1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium?
1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium has a molecular weight of 484.62 g/mol, XLogP of 5.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-dibenzofuran-3-id-4-yl)-2,2,4,4-tetramethylpyrrolidine;iridium is sourced from PubChem (CID 140735894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).