CID 58262191

C26H25IrN2O- — CID 58262191

IUPAC—
SMILESCc1cc2c(o1)c1ccc[c-]c1c1ncc(-c3c(C(C)C)cccc3C(C)C)n21.[Ir]
InChIInChI=1S/C26H25N2O.Ir/c1-15(2)18-11-8-12-19(16(3)4)24(18)23-14-27-26-21-10-7-6-9-20(21)25-22(28(23)26)13-17(5)29-25;/h6-9,11-16H,1-5H3;/q-1;
InChIKeyQAFZJDGBWKHCCC-UHFFFAOYSA-N
MW573.72 g/mol
LogP7.25
Rot. Bonds3

About CID 58262191

CID 58262191 (PubChem CID 58262191) has the molecular formula C26H25IrN2O- and a molecular weight of 573.72 g/mol.

Molecular Properties

Compound NameCID 58262191
PubChem CID58262191
Molecular FormulaC26H25IrN2O-
Molecular Weight573.72 g/mol
Exact Mass574.16
IUPAC Name—
SMILESCc1cc2c(o1)c1ccc[c-]c1c1ncc(-c3c(C(C)C)cccc3C(C)C)n21.[Ir]
InChIInChI=1S/C26H25N2O.Ir/c1-15(2)18-11-8-12-19(16(3)4)24(18)23-14-27-26-21-10-7-6-9-20(21)25-22(28(23)26)13-17(5)29-25;/h6-9,11-16H,1-5H3;/q-1;
InChIKeyQAFZJDGBWKHCCC-UHFFFAOYSA-N
XLogP7.25
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.72
LogP ≤ 57.25
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 58262191?
The IUPAC name of CID 58262191 (CID 58262191) is not available.
What is the SMILES notation for CID 58262191?
The canonical SMILES for CID 58262191 is Cc1cc2c(o1)c1ccc[c-]c1c1ncc(-c3c(C(C)C)cccc3C(C)C)n21.[Ir].
What is the InChIKey of CID 58262191?
The InChIKey is QAFZJDGBWKHCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N2O.Ir/c1-15(2)18-11-8-12-19(16(3)4)24(18)23-14-27-26-21-10-7-6-9-20(21)25-22(28(23)26)13-17(5)29-25;/h6-9,11-16H,1-5H3;/q-1;.
What are the key properties of CID 58262191?
CID 58262191 has a molecular weight of 573.72 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58262191 is sourced from PubChem (CID 58262191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).