CID 58518027

C15H10IrN2-2 — CID 58518027

IUPAC—
SMILES[Ir].[c-]1cccc2c1N1[CH-]N3C=CC=CC3=C1C=C2
InChIInChI=1S/C15H10N2.Ir/c1-2-6-13-12(5-1)8-9-15-14-7-3-4-10-16(14)11-17(13)15;/h1-5,7-11H;/q-2;
InChIKeyBYNSGSVXNUKJBI-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.05
Rot. Bonds

About CID 58518027

CID 58518027 (PubChem CID 58518027) has the molecular formula C15H10IrN2-2 and a molecular weight of 410.48 g/mol.

Molecular Properties

Compound NameCID 58518027
PubChem CID58518027
Molecular FormulaC15H10IrN2-2
Molecular Weight410.48 g/mol
Exact Mass411.05
IUPAC Name—
SMILES[Ir].[c-]1cccc2c1N1[CH-]N3C=CC=CC3=C1C=C2
InChIInChI=1S/C15H10N2.Ir/c1-2-6-13-12(5-1)8-9-15-14-7-3-4-10-16(14)11-17(13)15;/h1-5,7-11H;/q-2;
InChIKeyBYNSGSVXNUKJBI-UHFFFAOYSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.05
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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Frequently Asked Questions

What is the IUPAC name of CID 58518027?
The IUPAC name of CID 58518027 (CID 58518027) is not available.
What is the SMILES notation for CID 58518027?
The canonical SMILES for CID 58518027 is [Ir].[c-]1cccc2c1N1[CH-]N3C=CC=CC3=C1C=C2.
What is the InChIKey of CID 58518027?
The InChIKey is BYNSGSVXNUKJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2.Ir/c1-2-6-13-12(5-1)8-9-15-14-7-3-4-10-16(14)11-17(13)15;/h1-5,7-11H;/q-2;.
What are the key properties of CID 58518027?
CID 58518027 has a molecular weight of 410.48 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58518027 is sourced from PubChem (CID 58518027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).