tetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))

C152H120N4O16Rh2 — CID 178189769

IUPACtetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))
SMILESCC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C1=O.[Rh+2].[Rh+2]
InChIInChI=1S/4C38H31NO4.2Rh/c4*1-38(2,3)34(37(42)43)39-35(40)32-30(26-20-12-6-13-21-26)28(24-16-8-4-9-17-24)29(25-18-10-5-11-19-25)31(33(32)36(39)41)27-22-14-7-15-23-27;;/h4*4-23,34H,1-3H3,(H,42,43);;/q;;;;2*+2/p-4/t4*34-;;/m1111../s1
InChIKeyDOAGVMODNBNYPJ-AQUONOECSA-J
MW2464.46 g/mol
LogP28.46
Rot. Bonds24

About tetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))

tetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+)) (PubChem CID 178189769) has the molecular formula C152H120N4O16Rh2 and a molecular weight of 2464.46 g/mol. Its IUPAC name is tetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+)).

Molecular Properties

Compound Nametetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))
PubChem CID178189769
Molecular FormulaC152H120N4O16Rh2
Molecular Weight2464.46 g/mol
Exact Mass2462.68
IUPAC Nametetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))
SMILESCC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C1=O.[Rh+2].[Rh+2]
InChIInChI=1S/4C38H31NO4.2Rh/c4*1-38(2,3)34(37(42)43)39-35(40)32-30(26-20-12-6-13-21-26)28(24-16-8-4-9-17-24)29(25-18-10-5-11-19-25)31(33(32)36(39)41)27-22-14-7-15-23-27;;/h4*4-23,34H,1-3H3,(H,42,43);;/q;;;;2*+2/p-4/t4*34-;;/m1111../s1
InChIKeyDOAGVMODNBNYPJ-AQUONOECSA-J
XLogP28.46
TPSA310.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002464.46
LogP ≤ 528.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))?
The IUPAC name of tetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+)) (CID 178189769) is tetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+)).
What is the SMILES notation for tetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))?
The canonical SMILES for tetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+)) is CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C1=O.CC(C)(C)[C@@H](C(=O)[O-])N1C(=O)c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C1=O.[Rh+2].[Rh+2].
What is the InChIKey of tetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))?
The InChIKey is DOAGVMODNBNYPJ-AQUONOECSA-J. The full InChI is InChI=1S/4C38H31NO4.2Rh/c4*1-38(2,3)34(37(42)43)39-35(40)32-30(26-20-12-6-13-21-26)28(24-16-8-4-9-17-24)29(25-18-10-5-11-19-25)31(33(32)36(39)41)27-22-14-7-15-23-27;;/h4*4-23,34H,1-3H3,(H,42,43);;/q;;;;2*+2/p-4/t4*34-;;/m1111../s1.
What are the key properties of tetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+))?
tetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+)) has a molecular weight of 2464.46 g/mol, XLogP of 28.46, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2S)-2-(1,3-dioxo-4,5,6,7-tetraphenylisoindol-2-yl)-3,3-dimethylbutanoate);bis(rhodium(2+)) is sourced from PubChem (CID 178189769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).