2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)

C20H19Cl4NO4Rh2 — CID 164674899

IUPAC2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)
SMILESO=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1[C@@H](C(O)O)C12CC3CC(CC(C3)C1)C2.[Rh].[Rh]
InChIInChI=1S/C20H19Cl4NO4.2Rh/c21-12-10-11(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;;/h7-9,16,19,28-29H,1-6H2;;/t7?,8?,9?,16-,20?;;/m0../s1
InChIKeyQQTPNOHOCCPDKM-WOAGNBSPSA-N
MW685.00 g/mol
LogP4.79
Rot. Bonds3

About 2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)

2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium) (PubChem CID 164674899) has the molecular formula C20H19Cl4NO4Rh2 and a molecular weight of 685.00 g/mol. Its IUPAC name is 2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium).

Molecular Properties

Compound Name2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)
PubChem CID164674899
Molecular FormulaC20H19Cl4NO4Rh2
Molecular Weight685.00 g/mol
Exact Mass682.82
IUPAC Name2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)
SMILESO=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1[C@@H](C(O)O)C12CC3CC(CC(C3)C1)C2.[Rh].[Rh]
InChIInChI=1S/C20H19Cl4NO4.2Rh/c21-12-10-11(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;;/h7-9,16,19,28-29H,1-6H2;;/t7?,8?,9?,16-,20?;;/m0../s1
InChIKeyQQTPNOHOCCPDKM-WOAGNBSPSA-N
XLogP4.79
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500685.00
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

bis(rhodium);4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione
CID 59733612
Adamantan-1-yl-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-isoindol-2yl)-acetic acid
CID 69252994
2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)
CID 134939839
carbanide;bis(rhodium(3+));4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione
CID 134945335
tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetic acid);bis(rhodium)
CID 139247271
(2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetic acid
CID 11990350
2-[(1S)-1-(1-adamantyl)-2-hydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 59733556
2-[(1R)-1-(1-adamantyl)-2-methanidylpropyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)
CID 59733579
4,5,6,7-tetrachloro-2-[(2S)-1,1-dihydroxy-3,3-dimethylbutan-2-yl]isoindole-1,3-dione
CID 59733613
2-[(2S)-2-(1-adamantyl)-2-hydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 69251884
2-[1-(1-Adamantyl)-2-hydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione
CID 72370189
2-[(1S)-1-(1-adamantyl)-2-hydroxy-2-pentan-3-yloxyethyl]-4,5-dichloro-6,7-dimethylisoindole-1,3-dione;bis(rhodium)
CID 177003780

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)?
The IUPAC name of 2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium) (CID 164674899) is 2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium).
What is the SMILES notation for 2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)?
The canonical SMILES for 2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium) is O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1[C@@H](C(O)O)C12CC3CC(CC(C3)C1)C2.[Rh].[Rh].
What is the InChIKey of 2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)?
The InChIKey is QQTPNOHOCCPDKM-WOAGNBSPSA-N. The full InChI is InChI=1S/C20H19Cl4NO4.2Rh/c21-12-10-11(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;;/h7-9,16,19,28-29H,1-6H2;;/t7?,8?,9?,16-,20?;;/m0../s1.
What are the key properties of 2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium)?
2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium) has a molecular weight of 685.00 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(1-adamantyl)-2,2-dihydroxyethyl]-4,5,6,7-tetrachloroisoindole-1,3-dione;bis(rhodium) is sourced from PubChem (CID 164674899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).