3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium

C23H13NY-2 — CID 58813892

IUPAC3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium
SMILES[Y].[c-]1ncccc1-c1[c-]ccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C23H13N.Y/c1-2-6-17-12-21-14-23-18(13-20(21)11-16(17)5-1)7-3-9-22(23)19-8-4-10-24-15-19;/h1-8,10-14H;/q-2;
InChIKeyWHZSELWRNOTWHN-UHFFFAOYSA-N
MW392.27 g/mol
LogP5.81
Rot. Bonds1

About 3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium

3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium (PubChem CID 58813892) has the molecular formula C23H13NY-2 and a molecular weight of 392.27 g/mol. Its IUPAC name is 3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium
PubChem CID58813892
Molecular FormulaC23H13NY-2
Molecular Weight392.27 g/mol
Exact Mass392.01
IUPAC Name3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium
SMILES[Y].[c-]1ncccc1-c1[c-]ccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C23H13N.Y/c1-2-6-17-12-21-14-23-18(13-20(21)11-16(17)5-1)7-3-9-22(23)19-8-4-10-24-15-19;/h1-8,10-14H;/q-2;
InChIKeyWHZSELWRNOTWHN-UHFFFAOYSA-N
XLogP5.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.27
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium
CID 58813694
1-(2H-naphthalen-2-id-1-yl)-2H-anthracen-2-ide;yttrium
CID 58813435
2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium
CID 58813824
2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium
CID 58813566
2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium
CID 58813445
1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium
CID 58813461
1-(1H-anthracen-1-id-2-yl)-2H-anthracen-2-ide;1-(3H-anthracen-3-id-2-yl)-2H-anthracen-2-ide;1-(2H-anthracen-2-id-1-yl)-2H-pentacen-2-ide;2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;3-(2H-anthracen-2-id-1-yl)-2H-pentacen-2-ide;1-(2H-anthracen-2-id-1-yl)-2H-tetracen-2-ide;2-(2H-anthracen-2-id-1-yl)-1H-tetracen-1-ide;3-(2H-anthracen-2-id-1-yl)-2H-tetracen-2-ide;ethane;octakis(yttrium)
CID 159293080
3-(2H-pyridin-2-id-3-yl)-2H-quinolin-2-ide;yttrium
CID 58813547
3-(2H-naphthalen-2-id-1-yl)-6-pyridin-2-yl-2H-pyridin-2-ide;yttrium
CID 58813552
3-(3H-furan-3-id-2-yl)-2H-pyridin-2-ide;yttrium
CID 58813565
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600

Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium?
The IUPAC name of 3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium (CID 58813892) is 3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium is [Y].[c-]1ncccc1-c1[c-]ccc2cc3cc4ccccc4cc3cc12.
What is the InChIKey of 3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium?
The InChIKey is WHZSELWRNOTWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N.Y/c1-2-6-17-12-21-14-23-18(13-20(21)11-16(17)5-1)7-3-9-22(23)19-8-4-10-24-15-19;/h1-8,10-14H;/q-2;.
What are the key properties of 3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium?
3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium has a molecular weight of 392.27 g/mol, XLogP of 5.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 58813892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).