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

C40H22Y-2 — CID 58813694

IUPAC3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium
SMILES[Y].[c-]1cc2cc3cc4cc5ccccc5cc4cc3cc2cc1-c1[c-]ccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C40H22.Y/c1-2-8-27-16-35-23-37-21-32-20-31(13-12-29(32)18-36(37)22-34(35)15-26(27)7-1)39-11-5-10-30-19-33-14-25-6-3-4-9-28(25)17-38(33)24-40(30)39;/h1-10,12,14-24H;/q-2;
InChIKeyRBHALWXBMXQYHJ-UHFFFAOYSA-N
MW591.52 g/mol
LogP11.02
Rot. Bonds1

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

3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium (PubChem CID 58813694) has the molecular formula C40H22Y-2 and a molecular weight of 591.52 g/mol. Its IUPAC name is 3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium.

Molecular Properties

Compound Name3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium
PubChem CID58813694
Molecular FormulaC40H22Y-2
Molecular Weight591.52 g/mol
Exact Mass591.08
IUPAC Name3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium
SMILES[Y].[c-]1cc2cc3cc4cc5ccccc5cc4cc3cc2cc1-c1[c-]ccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C40H22.Y/c1-2-8-27-16-35-23-37-21-32-20-31(13-12-29(32)18-36(37)22-34(35)15-26(27)7-1)39-11-5-10-30-19-33-14-25-6-3-4-9-28(25)17-38(33)24-40(30)39;/h1-10,12,14-24H;/q-2;
InChIKeyRBHALWXBMXQYHJ-UHFFFAOYSA-N
XLogP11.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.52
LogP ≤ 511.02
H-Bond Donors ≤ 50
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'}

Analyze 3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-(2H-naphthalen-2-id-1-yl)-2H-anthracen-2-ide;yttrium
CID 58813435
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-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
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
3-(2H-naphthalen-2-id-1-yl)-2H-furan-2-ide;yttrium
CID 58813794
1-chlorohexacene
CID 87838951
1-but-2-en-2-yl-2H-pentacen-2-ide;2-but-2-en-2-yl-1H-pentacen-1-ide;3-but-2-en-2-yl-2H-pentacen-2-ide;1-but-2-en-2-yl-2H-tetracen-2-ide;2-but-2-en-2-yl-1H-tetracen-1-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;hexakis(yttrium)
CID 157194827

Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium?
The IUPAC name of 3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium (CID 58813694) is 3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium.
What is the SMILES notation for 3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium?
The canonical SMILES for 3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium is [Y].[c-]1cc2cc3cc4cc5ccccc5cc4cc3cc2cc1-c1[c-]ccc2cc3cc4ccccc4cc3cc12.
What is the InChIKey of 3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium?
The InChIKey is RBHALWXBMXQYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22.Y/c1-2-8-27-16-35-23-37-21-32-20-31(13-12-29(32)18-36(37)22-34(35)15-26(27)7-1)39-11-5-10-30-19-33-14-25-6-3-4-9-28(25)17-38(33)24-40(30)39;/h1-10,12,14-24H;/q-2;.
What are the key properties of 3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium?
3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium has a molecular weight of 591.52 g/mol, XLogP of 11.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium is sourced from PubChem (CID 58813694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).