CID 59806673

C11H10IrN3+ — CID 59806673

IUPAC—
SMILESCn1[cH+]n2cc3ccccc3cc2n1.[Ir]
InChIInChI=1S/C11H10N3.Ir/c1-13-8-14-7-10-5-3-2-4-9(10)6-11(14)12-13;/h2-8H,1H3;/q+1;
InChIKeyUUWVTMNYFQPJCU-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.10
Rot. Bonds

About CID 59806673

CID 59806673 (PubChem CID 59806673) has the molecular formula C11H10IrN3+ and a molecular weight of 376.44 g/mol.

Molecular Properties

Compound NameCID 59806673
PubChem CID59806673
Molecular FormulaC11H10IrN3+
Molecular Weight376.44 g/mol
Exact Mass377.05
IUPAC Name—
SMILESCn1[cH+]n2cc3ccccc3cc2n1.[Ir]
InChIInChI=1S/C11H10N3.Ir/c1-13-8-14-7-10-5-3-2-4-9(10)6-11(14)12-13;/h2-8H,1H3;/q+1;
InChIKeyUUWVTMNYFQPJCU-UHFFFAOYSA-N
XLogP2.10
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.10
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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Frequently Asked Questions

What is the IUPAC name of CID 59806673?
The IUPAC name of CID 59806673 (CID 59806673) is not available.
What is the SMILES notation for CID 59806673?
The canonical SMILES for CID 59806673 is Cn1[cH+]n2cc3ccccc3cc2n1.[Ir].
What is the InChIKey of CID 59806673?
The InChIKey is UUWVTMNYFQPJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N3.Ir/c1-13-8-14-7-10-5-3-2-4-9(10)6-11(14)12-13;/h2-8H,1H3;/q+1;.
What are the key properties of CID 59806673?
CID 59806673 has a molecular weight of 376.44 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59806673 is sourced from PubChem (CID 59806673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).