2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium

C26H15NY-2 — CID 58813566

IUPAC2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium
SMILES[Y].[c-]1cc[nH]c1-c1[c-]ccc2cc3cc4cc5ccccc5cc4cc3cc12
InChIInChI=1S/C26H15N.Y/c1-2-6-18-12-21-15-23-16-25-19(7-3-8-24(25)26-9-4-10-27-26)13-22(23)14-20(21)11-17(18)5-1;/h1-7,10-16,27H;/q-2;
InChIKeyGWCZGSBCSRUCND-UHFFFAOYSA-N
MW430.32 g/mol
LogP6.89
Rot. Bonds1

About 2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium

2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium (PubChem CID 58813566) has the molecular formula C26H15NY-2 and a molecular weight of 430.32 g/mol. Its IUPAC name is 2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium.

Molecular Properties

Compound Name2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium
PubChem CID58813566
Molecular FormulaC26H15NY-2
Molecular Weight430.32 g/mol
Exact Mass430.03
IUPAC Name2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium
SMILES[Y].[c-]1cc[nH]c1-c1[c-]ccc2cc3cc4cc5ccccc5cc4cc3cc12
InChIInChI=1S/C26H15N.Y/c1-2-6-18-12-21-15-23-16-25-19(7-3-8-24(25)26-9-4-10-27-26)13-22(23)14-20(21)11-17(18)5-1;/h1-7,10-16,27H;/q-2;
InChIKeyGWCZGSBCSRUCND-UHFFFAOYSA-N
XLogP6.89
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.32
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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

2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium
CID 58813445
1-(2H-naphthalen-2-id-1-yl)-2H-anthracen-2-ide;yttrium
CID 58813435
3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium
CID 58813694
3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium
CID 58813892
2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium
CID 58813824
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
2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium
CID 58813865
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
1-chlorohexacene
CID 87838951
decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842

Frequently Asked Questions

What is the IUPAC name of 2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium?
The IUPAC name of 2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium (CID 58813566) is 2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium.
What is the SMILES notation for 2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium?
The canonical SMILES for 2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium is [Y].[c-]1cc[nH]c1-c1[c-]ccc2cc3cc4cc5ccccc5cc4cc3cc12.
What is the InChIKey of 2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium?
The InChIKey is GWCZGSBCSRUCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15N.Y/c1-2-6-18-12-21-15-23-16-25-19(7-3-8-24(25)26-9-4-10-27-26)13-22(23)14-20(21)11-17(18)5-1;/h1-7,10-16,27H;/q-2;.
What are the key properties of 2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium?
2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium has a molecular weight of 430.32 g/mol, XLogP of 6.89, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium is sourced from PubChem (CID 58813566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).