1,9-dihydropyrido[3,4-b]indol-1-ide;iridium

C11H7IrN2- — CID 175347393

IUPAC1,9-dihydropyrido[3,4-b]indol-1-ide;iridium
SMILES[Ir].[c-]1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C11H7N2.Ir/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;/h1-6,13H;/q-1;
InChIKeyDMFTUTJKSJXORQ-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.51
Rot. Bonds

About 1,9-dihydropyrido[3,4-b]indol-1-ide;iridium

1,9-dihydropyrido[3,4-b]indol-1-ide;iridium (PubChem CID 175347393) has the molecular formula C11H7IrN2- and a molecular weight of 359.41 g/mol. Its IUPAC name is 1,9-dihydropyrido[3,4-b]indol-1-ide;iridium.

Molecular Properties

Compound Name1,9-dihydropyrido[3,4-b]indol-1-ide;iridium
PubChem CID175347393
Molecular FormulaC11H7IrN2-
Molecular Weight359.41 g/mol
Exact Mass360.02
IUPAC Name1,9-dihydropyrido[3,4-b]indol-1-ide;iridium
SMILES[Ir].[c-]1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C11H7N2.Ir/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;/h1-6,13H;/q-1;
InChIKeyDMFTUTJKSJXORQ-UHFFFAOYSA-N
XLogP2.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,9-dihydropyrido[3,4-b]indol-1-ide;iridium?
The IUPAC name of 1,9-dihydropyrido[3,4-b]indol-1-ide;iridium (CID 175347393) is 1,9-dihydropyrido[3,4-b]indol-1-ide;iridium.
What is the SMILES notation for 1,9-dihydropyrido[3,4-b]indol-1-ide;iridium?
The canonical SMILES for 1,9-dihydropyrido[3,4-b]indol-1-ide;iridium is [Ir].[c-]1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 1,9-dihydropyrido[3,4-b]indol-1-ide;iridium?
The InChIKey is DMFTUTJKSJXORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N2.Ir/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;/h1-6,13H;/q-1;.
What are the key properties of 1,9-dihydropyrido[3,4-b]indol-1-ide;iridium?
1,9-dihydropyrido[3,4-b]indol-1-ide;iridium has a molecular weight of 359.41 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydropyrido[3,4-b]indol-1-ide;iridium is sourced from PubChem (CID 175347393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).