tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))

C80H64Cl16N4O16Rh2 — CID 73170795

IUPACtetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))
SMILESO=C([O-])C(N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])C(N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])C(N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])C(N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.[Rh+2].[Rh+2]
InChIInChI=1S/4C20H17Cl4NO4.2Rh/c4*21-12-10-11(13(22)15(24)14(12)23)18(27)25(17(10)26)16(19(28)29)20-4-7-1-8(5-20)3-9(2-7)6-20;;/h4*7-9,16H,1-6H2,(H,28,29);;/q;;;;2*+2/p-4
InChIKeyJFDVMHNQOYVSDK-UHFFFAOYSA-J
MW2110.46 g/mol
LogP16.92
Rot. Bonds12

About tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))

tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)) (PubChem CID 73170795) has the molecular formula C80H64Cl16N4O16Rh2 and a molecular weight of 2110.46 g/mol. Its IUPAC name is tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)).

Molecular Properties

Compound Nametetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))
PubChem CID73170795
Molecular FormulaC80H64Cl16N4O16Rh2
Molecular Weight2110.46 g/mol
Exact Mass2101.74
IUPAC Nametetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))
SMILESO=C([O-])C(N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])C(N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])C(N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])C(N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.[Rh+2].[Rh+2]
InChIInChI=1S/4C20H17Cl4NO4.2Rh/c4*21-12-10-11(13(22)15(24)14(12)23)18(27)25(17(10)26)16(19(28)29)20-4-7-1-8(5-20)3-9(2-7)6-20;;/h4*7-9,16H,1-6H2,(H,28,29);;/q;;;;2*+2/p-4
InChIKeyJFDVMHNQOYVSDK-UHFFFAOYSA-J
XLogP16.92
TPSA310.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002110.46
LogP ≤ 516.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))?
The IUPAC name of tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)) (CID 73170795) is tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)).
What is the SMILES notation for tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))?
The canonical SMILES for tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)) is O=C([O-])C(N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])C(N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])C(N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.O=C([O-])C(N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2.[Rh+2].[Rh+2].
What is the InChIKey of tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))?
The InChIKey is JFDVMHNQOYVSDK-UHFFFAOYSA-J. The full InChI is InChI=1S/4C20H17Cl4NO4.2Rh/c4*21-12-10-11(13(22)15(24)14(12)23)18(27)25(17(10)26)16(19(28)29)20-4-7-1-8(5-20)3-9(2-7)6-20;;/h4*7-9,16H,1-6H2,(H,28,29);;/q;;;;2*+2/p-4.
What are the key properties of tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))?
tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)) has a molecular weight of 2110.46 g/mol, XLogP of 16.92, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+)) is sourced from PubChem (CID 73170795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).