1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium

C28H16Y-2 — CID 58813461

IUPAC1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium
SMILES[Y].[c-]1ccc2cc3ccccc3cc2c1-c1[c-]c2ccccc2c2ccccc12
InChIInChI=1S/C28H16.Y/c1-2-9-20-17-27-21(16-19(20)8-1)11-7-15-26(27)28-18-22-10-3-4-12-23(22)24-13-5-6-14-25(24)28;/h1-14,16-17H;/q-2;
InChIKeyDALFDZLPQKFTEM-UHFFFAOYSA-N
MW441.34 g/mol
LogP7.56
Rot. Bonds1

About 1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium

1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium (PubChem CID 58813461) has the molecular formula C28H16Y-2 and a molecular weight of 441.34 g/mol. Its IUPAC name is 1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium.

Molecular Properties

Compound Name1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium
PubChem CID58813461
Molecular FormulaC28H16Y-2
Molecular Weight441.34 g/mol
Exact Mass441.03
IUPAC Name1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium
SMILES[Y].[c-]1ccc2cc3ccccc3cc2c1-c1[c-]c2ccccc2c2ccccc12
InChIInChI=1S/C28H16.Y/c1-2-9-20-17-27-21(16-19(20)8-1)11-7-15-26(27)28-18-22-10-3-4-12-23(22)24-13-5-6-14-25(24)28;/h1-14,16-17H;/q-2;
InChIKeyDALFDZLPQKFTEM-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.34
LogP ≤ 57.56
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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
3-(2H-tetracen-2-id-1-yl)-2H-pentacen-2-ide;yttrium
CID 58813694
2-(2H-anthracen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium
CID 58813445
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-pentacen-2-id-1-yl)-1,3-dihydropyrrol-3-ide;yttrium
CID 58813566
lithium 5H-benzo[a]anthracen-5-ide
CID 173034453
3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium
CID 58813892
4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium)
CID 164804327
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
2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium
CID 58813865
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000

Frequently Asked Questions

What is the IUPAC name of 1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium?
The IUPAC name of 1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium (CID 58813461) is 1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium.
What is the SMILES notation for 1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium?
The canonical SMILES for 1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium is [Y].[c-]1ccc2cc3ccccc3cc2c1-c1[c-]c2ccccc2c2ccccc12.
What is the InChIKey of 1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium?
The InChIKey is DALFDZLPQKFTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16.Y/c1-2-9-20-17-27-21(16-19(20)8-1)11-7-15-26(27)28-18-22-10-3-4-12-23(22)24-13-5-6-14-25(24)28;/h1-14,16-17H;/q-2;.
What are the key properties of 1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium?
1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium has a molecular weight of 441.34 g/mol, XLogP of 7.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium is sourced from PubChem (CID 58813461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).