4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium

C18H14Y-2 — CID 59915148

IUPAC4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium
SMILESCc1cc[c-]c2c(-c3[c-]cccc3)ccc(C)c12.[Y]
InChIInChI=1S/C18H14.Y/c1-13-7-6-10-17-16(12-11-14(2)18(13)17)15-8-4-3-5-9-15;/h3-8,11-12H,1-2H3;/q-2;
InChIKeyFPHWPSMXYUAMDX-UHFFFAOYSA-N
MW319.22 g/mol
LogP4.72
Rot. Bonds1

About 4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium

4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium (PubChem CID 59915148) has the molecular formula C18H14Y-2 and a molecular weight of 319.22 g/mol. Its IUPAC name is 4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium.

Molecular Properties

Compound Name4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium
PubChem CID59915148
Molecular FormulaC18H14Y-2
Molecular Weight319.22 g/mol
Exact Mass319.02
IUPAC Name4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium
SMILESCc1cc[c-]c2c(-c3[c-]cccc3)ccc(C)c12.[Y]
InChIInChI=1S/C18H14.Y/c1-13-7-6-10-17-16(12-11-14(2)18(13)17)15-8-4-3-5-9-15;/h3-8,11-12H,1-2H3;/q-2;
InChIKeyFPHWPSMXYUAMDX-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium?
The IUPAC name of 4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium (CID 59915148) is 4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium.
What is the SMILES notation for 4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium?
The canonical SMILES for 4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium is Cc1cc[c-]c2c(-c3[c-]cccc3)ccc(C)c12.[Y].
What is the InChIKey of 4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium?
The InChIKey is FPHWPSMXYUAMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.Y/c1-13-7-6-10-17-16(12-11-14(2)18(13)17)15-8-4-3-5-9-15;/h3-8,11-12H,1-2H3;/q-2;.
What are the key properties of 4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium?
4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium has a molecular weight of 319.22 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-8-phenyl-1H-naphthalen-1-ide;yttrium is sourced from PubChem (CID 59915148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).