CID 153276206

C22H18B2IrN- — CID 153276206

IUPAC—
SMILESCC1=NB2c3[c-]cccc3B(c3c(C)cccc3C)c3cccc1c32.[Ir]
InChIInChI=1S/C22H18B2N.Ir/c1-14-8-6-9-15(2)21(14)23-18-11-4-5-12-19(18)24-22-17(16(3)25-24)10-7-13-20(22)23;/h4-11,13H,1-3H3;/q-1;
InChIKeyGJRSSCLYGPSSSF-UHFFFAOYSA-N
MW510.23 g/mol
LogP0.86
Rot. Bonds1

About CID 153276206

CID 153276206 (PubChem CID 153276206) has the molecular formula C22H18B2IrN- and a molecular weight of 510.23 g/mol.

Molecular Properties

Compound NameCID 153276206
PubChem CID153276206
Molecular FormulaC22H18B2IrN-
Molecular Weight510.23 g/mol
Exact Mass511.13
IUPAC Name—
SMILESCC1=NB2c3[c-]cccc3B(c3c(C)cccc3C)c3cccc1c32.[Ir]
InChIInChI=1S/C22H18B2N.Ir/c1-14-8-6-9-15(2)21(14)23-18-11-4-5-12-19(18)24-22-17(16(3)25-24)10-7-13-20(22)23;/h4-11,13H,1-3H3;/q-1;
InChIKeyGJRSSCLYGPSSSF-UHFFFAOYSA-N
XLogP0.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4,5,6-trimethylbenzo[b][1]benzoborole
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5-[5,10-bis(2,6-dimethylphenyl)boranthren-2-yl]-1-phenylpyrazole;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 153276327
2-[5,10-bis(2,6-dimethylphenyl)-3-methylboranthren-2-yl]-1,4,5-trimethylpyridin-1-ium
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magnesium;1,2-dimethylbenzene-6-ide;iodide
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magnesium;1,2-dimethylbenzene-6-ide;chloride
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Frequently Asked Questions

What is the IUPAC name of CID 153276206?
The IUPAC name of CID 153276206 (CID 153276206) is not available.
What is the SMILES notation for CID 153276206?
The canonical SMILES for CID 153276206 is CC1=NB2c3[c-]cccc3B(c3c(C)cccc3C)c3cccc1c32.[Ir].
What is the InChIKey of CID 153276206?
The InChIKey is GJRSSCLYGPSSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18B2N.Ir/c1-14-8-6-9-15(2)21(14)23-18-11-4-5-12-19(18)24-22-17(16(3)25-24)10-7-13-20(22)23;/h4-11,13H,1-3H3;/q-1;.
What are the key properties of CID 153276206?
CID 153276206 has a molecular weight of 510.23 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153276206 is sourced from PubChem (CID 153276206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).