dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate)

C76H60Cl4Cu2N4O16 — CID 11979746

IUPACdicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate)
SMILESCOc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.[Cu+2].[Cu+2]
InChIInChI=1S/4C19H16ClNO4.2Cu/c4*1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;;/h4*3-9H,10H2,1-2H3,(H,22,23);;/q;;;;2*+2/p-4
InChIKeyZCCDQYNAOTZLJJ-UHFFFAOYSA-J
MW1554.23 g/mol
LogP10.37
Rot. Bonds16

About dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate)

dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate) (PubChem CID 11979746) has the molecular formula C76H60Cl4Cu2N4O16 and a molecular weight of 1554.23 g/mol. Its IUPAC name is dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate).

Molecular Properties

Compound Namedicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate)
PubChem CID11979746
Molecular FormulaC76H60Cl4Cu2N4O16
Molecular Weight1554.23 g/mol
Exact Mass1550.14
IUPAC Namedicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate)
SMILESCOc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.[Cu+2].[Cu+2]
InChIInChI=1S/4C19H16ClNO4.2Cu/c4*1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;;/h4*3-9H,10H2,1-2H3,(H,22,23);;/q;;;;2*+2/p-4
InChIKeyZCCDQYNAOTZLJJ-UHFFFAOYSA-J
XLogP10.37
TPSA285.44 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001554.23
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate)?
The IUPAC name of dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate) (CID 11979746) is dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate).
What is the SMILES notation for dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate)?
The canonical SMILES for dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate) is COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate)?
The InChIKey is ZCCDQYNAOTZLJJ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C19H16ClNO4.2Cu/c4*1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;;/h4*3-9H,10H2,1-2H3,(H,22,23);;/q;;;;2*+2/p-4.
What are the key properties of dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate)?
dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate) has a molecular weight of 1554.23 g/mol, XLogP of 10.37, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate) is sourced from PubChem (CID 11979746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).