CID 156655524

C24H18IrN5- — CID 156655524

IUPAC—
SMILESCN1c2[c-]c(-c3cnccn3)cc3c2N(c2ccccc21)c1ccccc1N3C.[Ir]
InChIInChI=1S/C24H18N5.Ir/c1-27-18-7-3-5-9-20(18)29-21-10-6-4-8-19(21)28(2)23-14-16(13-22(27)24(23)29)17-15-25-11-12-26-17;/h3-13,15H,1-2H3;/q-1;
InChIKeyALQUOTGFMHVTOJ-UHFFFAOYSA-N
MW568.66 g/mol
LogP5.57
Rot. Bonds1

About CID 156655524

CID 156655524 (PubChem CID 156655524) has the molecular formula C24H18IrN5- and a molecular weight of 568.66 g/mol.

Molecular Properties

Compound NameCID 156655524
PubChem CID156655524
Molecular FormulaC24H18IrN5-
Molecular Weight568.66 g/mol
Exact Mass569.12
IUPAC Name—
SMILESCN1c2[c-]c(-c3cnccn3)cc3c2N(c2ccccc21)c1ccccc1N3C.[Ir]
InChIInChI=1S/C24H18N5.Ir/c1-27-18-7-3-5-9-20(18)29-21-10-6-4-8-19(21)28(2)23-14-16(13-22(27)24(23)29)17-15-25-11-12-26-17;/h3-13,15H,1-2H3;/q-1;
InChIKeyALQUOTGFMHVTOJ-UHFFFAOYSA-N
XLogP5.57
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.66
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 156655524?
The IUPAC name of CID 156655524 (CID 156655524) is not available.
What is the SMILES notation for CID 156655524?
The canonical SMILES for CID 156655524 is CN1c2[c-]c(-c3cnccn3)cc3c2N(c2ccccc21)c1ccccc1N3C.[Ir].
What is the InChIKey of CID 156655524?
The InChIKey is ALQUOTGFMHVTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N5.Ir/c1-27-18-7-3-5-9-20(18)29-21-10-6-4-8-19(21)28(2)23-14-16(13-22(27)24(23)29)17-15-25-11-12-26-17;/h3-13,15H,1-2H3;/q-1;.
What are the key properties of CID 156655524?
CID 156655524 has a molecular weight of 568.66 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156655524 is sourced from PubChem (CID 156655524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).