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

C36H20Y-2 — CID 58813824

IUPAC2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium
SMILES[Y].[c-]1ccc2cc3ccccc3cc2c1-c1[c-]c2cc3cc4cc5ccccc5cc4cc3cc2cc1
InChIInChI=1S/C36H20.Y/c1-2-8-25-16-32-21-34-19-30-18-29(13-12-27(30)17-33(34)20-31(32)15-24(25)7-1)35-11-5-10-28-14-23-6-3-4-9-26(23)22-36(28)35;/h1-10,12-17,19-22H;/q-2;
InChIKeyBCRBLRTYFICPEZ-UHFFFAOYSA-N
MW541.46 g/mol
LogP9.87
Rot. Bonds1

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

2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium (PubChem CID 58813824) has the molecular formula C36H20Y-2 and a molecular weight of 541.46 g/mol. Its IUPAC name is 2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium.

Molecular Properties

Compound Name2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium
PubChem CID58813824
Molecular FormulaC36H20Y-2
Molecular Weight541.46 g/mol
Exact Mass541.06
IUPAC Name2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium
SMILES[Y].[c-]1ccc2cc3ccccc3cc2c1-c1[c-]c2cc3cc4cc5ccccc5cc4cc3cc2cc1
InChIInChI=1S/C36H20.Y/c1-2-8-25-16-32-21-34-19-30-18-29(13-12-27(30)17-33(34)20-31(32)15-24(25)7-1)35-11-5-10-28-14-23-6-3-4-9-26(23)22-36(28)35;/h1-10,12-17,19-22H;/q-2;
InChIKeyBCRBLRTYFICPEZ-UHFFFAOYSA-N
XLogP9.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.46
LogP ≤ 59.87
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'}

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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
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
3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium
CID 58813892
1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium
CID 58813461
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
7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;yttrium
CID 58813499
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
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
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium)
CID 153293154

Frequently Asked Questions

What is the IUPAC name of 2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium?
The IUPAC name of 2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium (CID 58813824) is 2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium.
What is the SMILES notation for 2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium?
The canonical SMILES for 2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium is [Y].[c-]1ccc2cc3ccccc3cc2c1-c1[c-]c2cc3cc4cc5ccccc5cc4cc3cc2cc1.
What is the InChIKey of 2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium?
The InChIKey is BCRBLRTYFICPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20.Y/c1-2-8-25-16-32-21-34-19-30-18-29(13-12-27(30)17-33(34)20-31(32)15-24(25)7-1)35-11-5-10-28-14-23-6-3-4-9-26(23)22-36(28)35;/h1-10,12-17,19-22H;/q-2;.
What are the key properties of 2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium?
2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium has a molecular weight of 541.46 g/mol, XLogP of 9.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-anthracen-2-id-1-yl)-1H-pentacen-1-ide;yttrium is sourced from PubChem (CID 58813824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).