tetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate)

C96H56Cu4O16 — CID 70701315

IUPACtetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate)
SMILESO=C([O-])c1cccc(-c2ccc3ccc(-c4cccc(C(=O)[O-])c4)cc3c2)c1.O=C([O-])c1cccc(-c2ccc3ccc(-c4cccc(C(=O)[O-])c4)cc3c2)c1.O=C([O-])c1cccc(-c2ccc3ccc(-c4cccc(C(=O)[O-])c4)cc3c2)c1.O=C([O-])c1cccc(-c2ccc3ccc(-c4cccc(C(=O)[O-])c4)cc3c2)c1.[Cu+2].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/4C24H16O4.4Cu/c4*25-23(26)20-5-1-3-16(11-20)18-9-7-15-8-10-19(14-22(15)13-18)17-4-2-6-21(12-17)24(27)28;;;;/h4*1-14H,(H,25,26)(H,27,28);;;;/q;;;;4*+2/p-8
InChIKeyGNUUVIDFJBLQBW-UHFFFAOYSA-F
MW1719.67 g/mol
LogP11.59
Rot. Bonds16

About tetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate)

tetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate) (PubChem CID 70701315) has the molecular formula C96H56Cu4O16 and a molecular weight of 1719.67 g/mol. Its IUPAC name is tetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate).

Molecular Properties

Compound Nametetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate)
PubChem CID70701315
Molecular FormulaC96H56Cu4O16
Molecular Weight1719.67 g/mol
Exact Mass1716.08
IUPAC Nametetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate)
SMILESO=C([O-])c1cccc(-c2ccc3ccc(-c4cccc(C(=O)[O-])c4)cc3c2)c1.O=C([O-])c1cccc(-c2ccc3ccc(-c4cccc(C(=O)[O-])c4)cc3c2)c1.O=C([O-])c1cccc(-c2ccc3ccc(-c4cccc(C(=O)[O-])c4)cc3c2)c1.O=C([O-])c1cccc(-c2ccc3ccc(-c4cccc(C(=O)[O-])c4)cc3c2)c1.[Cu+2].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/4C24H16O4.4Cu/c4*25-23(26)20-5-1-3-16(11-20)18-9-7-15-8-10-19(14-22(15)13-18)17-4-2-6-21(12-17)24(27)28;;;;/h4*1-14H,(H,25,26)(H,27,28);;;;/q;;;;4*+2/p-8
InChIKeyGNUUVIDFJBLQBW-UHFFFAOYSA-F
XLogP11.59
TPSA321.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001719.67
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

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CID 13879901
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CID 2810167
Cobaltous 2-naphthenic acid
CID 14048876
3,4,9,10-Perylenetetracarboxylic acid
CID 66474
3-Perylenecarboxylic acid
CID 10990114
Magnesium naphthenate
CID 21264818
Lead naphthenates
CID 25021832
Calcium naphthenate
CID 20138397
Diisobutyl 3,9-perylenedicarboxylate
CID 75973
4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-anthracen-2-yl)-benzoic acid
CID 10127015
1,3,5-Tris(4-carboxyphenyl)benzene
CID 10694305

Frequently Asked Questions

What is the IUPAC name of tetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate)?
The IUPAC name of tetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate) (CID 70701315) is tetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate).
What is the SMILES notation for tetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate)?
The canonical SMILES for tetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate) is O=C([O-])c1cccc(-c2ccc3ccc(-c4cccc(C(=O)[O-])c4)cc3c2)c1.O=C([O-])c1cccc(-c2ccc3ccc(-c4cccc(C(=O)[O-])c4)cc3c2)c1.O=C([O-])c1cccc(-c2ccc3ccc(-c4cccc(C(=O)[O-])c4)cc3c2)c1.O=C([O-])c1cccc(-c2ccc3ccc(-c4cccc(C(=O)[O-])c4)cc3c2)c1.[Cu+2].[Cu+2].[Cu+2].[Cu+2].
What is the InChIKey of tetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate)?
The InChIKey is GNUUVIDFJBLQBW-UHFFFAOYSA-F. The full InChI is InChI=1S/4C24H16O4.4Cu/c4*25-23(26)20-5-1-3-16(11-20)18-9-7-15-8-10-19(14-22(15)13-18)17-4-2-6-21(12-17)24(27)28;;;;/h4*1-14H,(H,25,26)(H,27,28);;;;/q;;;;4*+2/p-8.
What are the key properties of tetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate)?
tetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate) has a molecular weight of 1719.67 g/mol, XLogP of 11.59, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetracopper;tetrakis(3-[7-(3-carboxylatophenyl)naphthalen-2-yl]benzoate) is sourced from PubChem (CID 70701315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).