bis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide

C32H36Fe2N2O2 — CID 138402856

IUPACbis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide
SMILESCC(C)[C@H]1CO/C(=C2/C=CC=C2C2=CC=C/C2=C2/[N-][C@@H](C(C)C)CO2)[N-]1.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/C22H26N2O2.2C5H5.2Fe/c1-13(2)19-11-25-21(23-19)17-9-5-7-15(17)16-8-6-10-18(16)22-24-20(12-26-22)14(3)4;2*1-2-4-5-3-1;;/h5-10,13-14,19-20H,11-12H2,1-4H3;2*1-5H;;/q-2;2*-1;2*+2/b21-17-,22-18+;;;;/t19-,20-;;;;/m1..../s1
InChIKeyGSVKKVGUOIENJR-FOLTXKJQSA-N
MW592.34 g/mol
LogP8.06
Rot. Bonds3

About bis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide

bis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide (PubChem CID 138402856) has the molecular formula C32H36Fe2N2O2 and a molecular weight of 592.34 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide
PubChem CID138402856
Molecular FormulaC32H36Fe2N2O2
Molecular Weight592.34 g/mol
Exact Mass592.15
IUPAC Namebis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide
SMILESCC(C)[C@H]1CO/C(=C2/C=CC=C2C2=CC=C/C2=C2/[N-][C@@H](C(C)C)CO2)[N-]1.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/C22H26N2O2.2C5H5.2Fe/c1-13(2)19-11-25-21(23-19)17-9-5-7-15(17)16-8-6-10-18(16)22-24-20(12-26-22)14(3)4;2*1-2-4-5-3-1;;/h5-10,13-14,19-20H,11-12H2,1-4H3;2*1-5H;;/q-2;2*-1;2*+2/b21-17-,22-18+;;;;/t19-,20-;;;;/m1..../s1
InChIKeyGSVKKVGUOIENJR-FOLTXKJQSA-N
XLogP8.06
TPSA46.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.34
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide?
The IUPAC name of bis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide (CID 138402856) is bis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide.
What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide?
The canonical SMILES for bis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide is CC(C)[C@H]1CO/C(=C2/C=CC=C2C2=CC=C/C2=C2/[N-][C@@H](C(C)C)CO2)[N-]1.[Fe+2].[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide?
The InChIKey is GSVKKVGUOIENJR-FOLTXKJQSA-N. The full InChI is InChI=1S/C22H26N2O2.2C5H5.2Fe/c1-13(2)19-11-25-21(23-19)17-9-5-7-15(17)16-8-6-10-18(16)22-24-20(12-26-22)14(3)4;2*1-2-4-5-3-1;;/h5-10,13-14,19-20H,11-12H2,1-4H3;2*1-5H;;/q-2;2*-1;2*+2/b21-17-,22-18+;;;;/t19-,20-;;;;/m1..../s1.
What are the key properties of bis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide?
bis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide has a molecular weight of 592.34 g/mol, XLogP of 8.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);bis(iron(2+));(2E,4S)-4-propan-2-yl-2-[2-[(5Z)-5-[(4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]cyclopenta-2,4-dien-1-ylidene]-1,3-oxazolidin-3-ide is sourced from PubChem (CID 138402856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).