tetrakis(2-naphthalen-1-ylacetic acid);samarium

C48H40O8Sm — CID 175232376

IUPACtetrakis(2-naphthalen-1-ylacetic acid);samarium
SMILESO=C(O)Cc1cccc2ccccc12.O=C(O)Cc1cccc2ccccc12.O=C(O)Cc1cccc2ccccc12.O=C(O)Cc1cccc2ccccc12.[Sm]
InChIInChI=1S/4C12H10O2.Sm/c4*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h4*1-7H,8H2,(H,13,14);
InChIKeyDJGMMBRDOLKNDN-UHFFFAOYSA-N
MW895.20 g/mol
LogP9.87
Rot. Bonds8

About tetrakis(2-naphthalen-1-ylacetic acid);samarium

tetrakis(2-naphthalen-1-ylacetic acid);samarium (PubChem CID 175232376) has the molecular formula C48H40O8Sm and a molecular weight of 895.20 g/mol. Its IUPAC name is tetrakis(2-naphthalen-1-ylacetic acid);samarium.

Molecular Properties

Compound Nametetrakis(2-naphthalen-1-ylacetic acid);samarium
PubChem CID175232376
Molecular FormulaC48H40O8Sm
Molecular Weight895.20 g/mol
Exact Mass896.19
IUPAC Nametetrakis(2-naphthalen-1-ylacetic acid);samarium
SMILESO=C(O)Cc1cccc2ccccc12.O=C(O)Cc1cccc2ccccc12.O=C(O)Cc1cccc2ccccc12.O=C(O)Cc1cccc2ccccc12.[Sm]
InChIInChI=1S/4C12H10O2.Sm/c4*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h4*1-7H,8H2,(H,13,14);
InChIKeyDJGMMBRDOLKNDN-UHFFFAOYSA-N
XLogP9.87
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.20
LogP ≤ 59.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 174974988
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CID 67744523
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CID 10900926
5-amino-4-oxopentanoic acid;2-naphthalen-1-ylacetic acid
CID 175124384
1H-indole;2-naphthalen-1-ylacetic acid
CID 164968711
2-(naphthalen-1-ylmethyl)prop-2-enoic acid
CID 10059024
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
2-hydroxyethyl(trimethyl)azanium;2-naphthalen-1-ylacetic acid;chloride
CID 175051749
dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid)
CID 139066806
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
carbamic acid;naphthalen-1-ylmethanol
CID 71402043

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-naphthalen-1-ylacetic acid);samarium?
The IUPAC name of tetrakis(2-naphthalen-1-ylacetic acid);samarium (CID 175232376) is tetrakis(2-naphthalen-1-ylacetic acid);samarium.
What is the SMILES notation for tetrakis(2-naphthalen-1-ylacetic acid);samarium?
The canonical SMILES for tetrakis(2-naphthalen-1-ylacetic acid);samarium is O=C(O)Cc1cccc2ccccc12.O=C(O)Cc1cccc2ccccc12.O=C(O)Cc1cccc2ccccc12.O=C(O)Cc1cccc2ccccc12.[Sm].
What is the InChIKey of tetrakis(2-naphthalen-1-ylacetic acid);samarium?
The InChIKey is DJGMMBRDOLKNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H10O2.Sm/c4*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h4*1-7H,8H2,(H,13,14);.
What are the key properties of tetrakis(2-naphthalen-1-ylacetic acid);samarium?
tetrakis(2-naphthalen-1-ylacetic acid);samarium has a molecular weight of 895.20 g/mol, XLogP of 9.87, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-naphthalen-1-ylacetic acid);samarium is sourced from PubChem (CID 175232376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).