carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)

C28H38Y2-2 — CID 158669660

IUPACcarbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
SMILESCC.CC.Cc1cccc2ccccc12.Cc1cccc2ccccc12.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/2C11H10.2C2H6.2CH3.2Y/c2*1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-2;;;;/h2*2-8H,1H3;2*1-2H3;2*1H3;;/q;;;;2*-1;;
InChIKeyNPGHTBFLBBELAI-UHFFFAOYSA-N
MW552.42 g/mol
LogP9.24
Rot. Bonds

About carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)

carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium) (PubChem CID 158669660) has the molecular formula C28H38Y2-2 and a molecular weight of 552.42 g/mol. Its IUPAC name is carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium).

Molecular Properties

Compound Namecarbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
PubChem CID158669660
Molecular FormulaC28H38Y2-2
Molecular Weight552.42 g/mol
Exact Mass552.11
IUPAC Namecarbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)
SMILESCC.CC.Cc1cccc2ccccc12.Cc1cccc2ccccc12.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/2C11H10.2C2H6.2CH3.2Y/c2*1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-2;;;;/h2*2-8H,1H3;2*1-2H3;2*1H3;;/q;;;;2*-1;;
InChIKeyNPGHTBFLBBELAI-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.42
LogP ≤ 59.24
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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CID 162159355
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Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)?
The IUPAC name of carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium) (CID 158669660) is carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium).
What is the SMILES notation for carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)?
The canonical SMILES for carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium) is CC.CC.Cc1cccc2ccccc12.Cc1cccc2ccccc12.[CH3-].[CH3-].[Y].[Y].
What is the InChIKey of carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)?
The InChIKey is NPGHTBFLBBELAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10.2C2H6.2CH3.2Y/c2*1-9-5-4-7-10-6-2-3-8-11(9)10;2*1-2;;;;/h2*2-8H,1H3;2*1-2H3;2*1H3;;/q;;;;2*-1;;.
What are the key properties of carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium)?
carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium) has a molecular weight of 552.42 g/mol, XLogP of 9.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethane;bis(1-methylnaphthalene);bis(yttrium) is sourced from PubChem (CID 158669660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).