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

C18H11NY-2 — CID 58813445

IUPAC2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium
SMILES[Y].[c-]1cc[nH]c1-c1[c-]ccc2cc3ccccc3cc12
InChIInChI=1S/C18H11N.Y/c1-2-6-14-12-17-15(11-13(14)5-1)7-3-8-16(17)18-9-4-10-19-18;/h1-7,10-12,19H;/q-2;
InChIKeyPICHFULODRTIIH-UHFFFAOYSA-N
MW330.20 g/mol
LogP4.59
Rot. Bonds1

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

2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium (PubChem CID 58813445) has the molecular formula C18H11NY-2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium.

Molecular Properties

Compound Name2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium
PubChem CID58813445
Molecular FormulaC18H11NY-2
Molecular Weight330.20 g/mol
Exact Mass330.00
IUPAC Name2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium
SMILES[Y].[c-]1cc[nH]c1-c1[c-]ccc2cc3ccccc3cc12
InChIInChI=1S/C18H11N.Y/c1-2-6-14-12-17-15(11-13(14)5-1)7-3-8-16(17)18-9-4-10-19-18;/h1-7,10-12,19H;/q-2;
InChIKeyPICHFULODRTIIH-UHFFFAOYSA-N
XLogP4.59
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 54.59
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-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium
CID 58813566
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
1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium
CID 58813461
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
2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium
CID 58813865
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
sodium 1H-benzo[a]anthracen-1-ide
CID 154109233
3-(2H-naphthalen-2-id-1-yl)-2H-furan-2-ide;yttrium
CID 58813794
5,12-dichlorotetracene
CID 87498157
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 2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium?
The IUPAC name of 2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium (CID 58813445) is 2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium.
What is the SMILES notation for 2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium?
The canonical SMILES for 2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium is [Y].[c-]1cc[nH]c1-c1[c-]ccc2cc3ccccc3cc12.
What is the InChIKey of 2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium?
The InChIKey is PICHFULODRTIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N.Y/c1-2-6-14-12-17-15(11-13(14)5-1)7-3-8-16(17)18-9-4-10-19-18;/h1-7,10-12,19H;/q-2;.
What are the key properties of 2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium?
2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium has a molecular weight of 330.20 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium is sourced from PubChem (CID 58813445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).