2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium)

C26H14Y2-4 — CID 153293154

IUPAC2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium)
SMILES[Y].[Y].[c-]1ccc(-c2[c-]c3ccccc3cc2)[c-]c1-c1[c-]c2ccccc2cc1
InChIInChI=1S/C26H14.2Y/c1-3-8-21-16-25(14-12-19(21)6-1)23-10-5-11-24(18-23)26-15-13-20-7-2-4-9-22(20)17-26;;/h1-10,12-15H;;/q-4;;
InChIKeyXPVHOWNKTIVLDL-UHFFFAOYSA-N
MW504.21 g/mol
LogP6.52
Rot. Bonds2

About 2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium)

2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium) (PubChem CID 153293154) has the molecular formula C26H14Y2-4 and a molecular weight of 504.21 g/mol. Its IUPAC name is 2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium).

Molecular Properties

Compound Name2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium)
PubChem CID153293154
Molecular FormulaC26H14Y2-4
Molecular Weight504.21 g/mol
Exact Mass503.92
IUPAC Name2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium)
SMILES[Y].[Y].[c-]1ccc(-c2[c-]c3ccccc3cc2)[c-]c1-c1[c-]c2ccccc2cc1
InChIInChI=1S/C26H14.2Y/c1-3-8-21-16-25(14-12-19(21)6-1)23-10-5-11-24(18-23)26-15-13-20-7-2-4-9-22(20)17-26;;/h1-10,12-15H;;/q-4;;
InChIKeyXPVHOWNKTIVLDL-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.21
LogP ≤ 56.52
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 2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium)?
The IUPAC name of 2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium) (CID 153293154) is 2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium).
What is the SMILES notation for 2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium)?
The canonical SMILES for 2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium) is [Y].[Y].[c-]1ccc(-c2[c-]c3ccccc3cc2)[c-]c1-c1[c-]c2ccccc2cc1.
What is the InChIKey of 2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium)?
The InChIKey is XPVHOWNKTIVLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14.2Y/c1-3-8-21-16-25(14-12-19(21)6-1)23-10-5-11-24(18-23)26-15-13-20-7-2-4-9-22(20)17-26;;/h1-10,12-15H;;/q-4;;.
What are the key properties of 2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium)?
2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium) has a molecular weight of 504.21 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-naphthalen-1-id-2-yl)benzene-2,4-diid-1-yl]-1H-naphthalen-1-ide;bis(yttrium) is sourced from PubChem (CID 153293154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).