6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium

C24H12N4Y-2 — CID 58813795

IUPAC6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium
SMILES[Y].[c-]1c(-c2[c-]c3cccnc3c3ncccc23)c2cccnc2c2ncccc12
InChIInChI=1S/C24H12N4.Y/c1-5-15-13-19(17-7-3-11-27-23(17)21(15)25-9-1)20-14-16-6-2-10-26-22(16)24-18(20)8-4-12-28-24;/h1-12H;/q-2;
InChIKeyDBNCMHFZNOZNAU-UHFFFAOYSA-N
MW445.29 g/mol
LogP5.14
Rot. Bonds1

About 6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium

6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium (PubChem CID 58813795) has the molecular formula C24H12N4Y-2 and a molecular weight of 445.29 g/mol. Its IUPAC name is 6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium.

Molecular Properties

Compound Name6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium
PubChem CID58813795
Molecular FormulaC24H12N4Y-2
Molecular Weight445.29 g/mol
Exact Mass445.01
IUPAC Name6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium
SMILES[Y].[c-]1c(-c2[c-]c3cccnc3c3ncccc23)c2cccnc2c2ncccc12
InChIInChI=1S/C24H12N4.Y/c1-5-15-13-19(17-7-3-11-27-23(17)21(15)25-9-1)20-14-16-6-2-10-26-22(16)24-18(20)8-4-12-28-24;/h1-12H;/q-2;
InChIKeyDBNCMHFZNOZNAU-UHFFFAOYSA-N
XLogP5.14
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.29
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium?
The IUPAC name of 6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium (CID 58813795) is 6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium.
What is the SMILES notation for 6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium?
The canonical SMILES for 6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium is [Y].[c-]1c(-c2[c-]c3cccnc3c3ncccc23)c2cccnc2c2ncccc12.
What is the InChIKey of 6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium?
The InChIKey is DBNCMHFZNOZNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12N4.Y/c1-5-15-13-19(17-7-3-11-27-23(17)21(15)25-9-1)20-14-16-6-2-10-26-22(16)24-18(20)8-4-12-28-24;/h1-12H;/q-2;.
What are the key properties of 6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium?
6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium has a molecular weight of 445.29 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6H-1,10-phenanthrolin-6-id-5-yl)-5H-1,10-phenanthrolin-5-ide;yttrium is sourced from PubChem (CID 58813795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).