2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium)

C24H25NO4Rh2 — CID 59733593

IUPAC2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium)
SMILESO=C1c2cccc3cccc(c23)C(=O)N1[C@H](C(O)O)C12CC3CC(CC(C3)C1)C2.[Rh].[Rh]
InChIInChI=1S/C24H25NO4.2Rh/c26-21-17-5-1-3-16-4-2-6-18(19(16)17)22(27)25(21)20(23(28)29)24-10-13-7-14(11-24)9-15(8-13)12-24;;/h1-6,13-15,20,23,28-29H,7-12H2;;/t13?,14?,15?,20-,24?;;/m1../s1
InChIKeyISRCXBJJBUSHST-DPPGNFLYSA-N
MW597.28 g/mol
LogP3.33
Rot. Bonds3

About 2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium)

2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium) (PubChem CID 59733593) has the molecular formula C24H25NO4Rh2 and a molecular weight of 597.28 g/mol. Its IUPAC name is 2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium).

Molecular Properties

Compound Name2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium)
PubChem CID59733593
Molecular FormulaC24H25NO4Rh2
Molecular Weight597.28 g/mol
Exact Mass596.99
IUPAC Name2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium)
SMILESO=C1c2cccc3cccc(c23)C(=O)N1[C@H](C(O)O)C12CC3CC(CC(C3)C1)C2.[Rh].[Rh]
InChIInChI=1S/C24H25NO4.2Rh/c26-21-17-5-1-3-16-4-2-6-18(19(16)17)22(27)25(21)20(23(28)29)24-10-13-7-14(11-24)9-15(8-13)12-24;;/h1-6,13-15,20,23,28-29H,7-12H2;;/t13?,14?,15?,20-,24?;;/m1../s1
InChIKeyISRCXBJJBUSHST-DPPGNFLYSA-N
XLogP3.33
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.28
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium)?
The IUPAC name of 2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium) (CID 59733593) is 2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium).
What is the SMILES notation for 2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium)?
The canonical SMILES for 2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium) is O=C1c2cccc3cccc(c23)C(=O)N1[C@H](C(O)O)C12CC3CC(CC(C3)C1)C2.[Rh].[Rh].
What is the InChIKey of 2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium)?
The InChIKey is ISRCXBJJBUSHST-DPPGNFLYSA-N. The full InChI is InChI=1S/C24H25NO4.2Rh/c26-21-17-5-1-3-16-4-2-6-18(19(16)17)22(27)25(21)20(23(28)29)24-10-13-7-14(11-24)9-15(8-13)12-24;;/h1-6,13-15,20,23,28-29H,7-12H2;;/t13?,14?,15?,20-,24?;;/m1../s1.
What are the key properties of 2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium)?
2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium) has a molecular weight of 597.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(1-adamantyl)-2,2-dihydroxyethyl]benzo[de]isoquinoline-1,3-dione;bis(rhodium) is sourced from PubChem (CID 59733593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).