4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium)

C21H14Y41-2 — CID 164804327

IUPAC4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium)
SMILESCc1c[c-]c(-c2[c-]ccc3ccccc23)c2ccccc12.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C21H14.41Y/c1-15-13-14-21(19-11-5-4-9-17(15)19)20-12-6-8-16-7-2-3-10-18(16)20;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-11,13H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyRXLVFVGPZAULPA-UHFFFAOYSA-N
MW3911.49 g/mol
LogP5.47
Rot. Bonds1

About 4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium)

4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium) (PubChem CID 164804327) has the molecular formula C21H14Y41-2 and a molecular weight of 3911.49 g/mol. Its IUPAC name is 4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium).

Molecular Properties

Compound Name4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium)
PubChem CID164804327
Molecular FormulaC21H14Y41-2
Molecular Weight3911.49 g/mol
Exact Mass3911.25
IUPAC Name4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium)
SMILESCc1c[c-]c(-c2[c-]ccc3ccccc23)c2ccccc12.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C21H14.41Y/c1-15-13-14-21(19-11-5-4-9-17(15)19)20-12-6-8-16-7-2-3-10-18(16)20;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-11,13H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyRXLVFVGPZAULPA-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003911.49
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-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-(2H-naphthalen-2-id-1-yl)-2H-anthracen-2-ide;yttrium
CID 58813435
2-(2H-naphthalen-2-id-1-yl)-3H-furan-3-ide;yttrium
CID 58813865
3-(2H-naphthalen-2-id-1-yl)-2H-furan-2-ide;yttrium
CID 58813794
ethane;2-(2-methylbenzene-6-id-1-yl)-1H-naphthalen-1-ide;2-(3-methylbenzene-2-id-1-yl)-1H-naphthalen-1-ide;2-(3-methylbenzene-6-id-1-yl)-1H-naphthalen-1-ide;2-(4-methylbenzene-6-id-1-yl)-1H-naphthalen-1-ide;4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;4-methyl-1-(3H-naphthalen-3-id-2-yl)-2H-naphthalen-2-ide;4-methyl-1-phenyl-2H-naphthalen-2-ide;(yttrium)
CID 161319785
diphenylphosphane;1-naphthalen-1-yl-2H-naphthalen-2-ide;ruthenium(1+)
CID 150075579
1-(10H-phenanthren-10-id-9-yl)-2H-anthracen-2-ide;yttrium
CID 58813461
iridium;2-methyl-3-(2H-naphthalen-2-id-1-yl)pyrazine;pentane-2,4-diol
CID 58219448
2-(2,2-dimethylpropyl)-1-(2H-naphthalen-2-id-1-yl)naphthalene;ethane;2-methylpropane;yttrium
CID 157245584
iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione
CID 164702305
iridium(3+);1-(3-isoquinolin-1-yl-5-methylbenzene-2-id-1-yl)isoquinoline;4-methyl-2,6-bis(2H-naphthalen-2-id-1-yl)pyridine
CID 59702665
3-(2H-naphthalen-2-id-1-yl)-6-pyridin-2-yl-2H-pyridin-2-ide;yttrium
CID 58813552
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
CID 158669660

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium)?
The IUPAC name of 4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium) (CID 164804327) is 4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium).
What is the SMILES notation for 4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium)?
The canonical SMILES for 4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium) is Cc1c[c-]c(-c2[c-]ccc3ccccc23)c2ccccc12.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium)?
The InChIKey is RXLVFVGPZAULPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14.41Y/c1-15-13-14-21(19-11-5-4-9-17(15)19)20-12-6-8-16-7-2-3-10-18(16)20;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-11,13H,1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium)?
4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium) has a molecular weight of 3911.49 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2H-naphthalen-2-id-1-yl)-2H-naphthalen-2-ide;(yttrium) is sourced from PubChem (CID 164804327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).