iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole

C32H33FeN3O2Si — CID 162405834

IUPACiron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
SMILESC(\C1=NC(c2ccccc2)CO1)=c1\[n-]/c(=C\C2=NC(c3ccccc3)CO2)c2ccccc12.[CH2-][Si](C)(C)C.[Fe+2]
InChIInChI=1S/C28H22N3O2.C4H11Si.Fe/c1-3-9-19(10-4-1)25-17-32-27(30-25)15-23-21-13-7-8-14-22(21)24(29-23)16-28-31-26(18-33-28)20-11-5-2-6-12-20;1-5(2,3)4;/h1-16,25-26H,17-18H2;1H2,2-4H3;/q2*-1;+2/b23-15-,24-16-;;
InChIKeyAPFDVBADEMNDFN-ASTJOKIBSA-N
MW575.57 g/mol
LogP5.39
Rot. Bonds4

About iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole

iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 162405834) has the molecular formula C32H33FeN3O2Si and a molecular weight of 575.57 g/mol. Its IUPAC name is iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Nameiron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID162405834
Molecular FormulaC32H33FeN3O2Si
Molecular Weight575.57 g/mol
Exact Mass575.17
IUPAC Nameiron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
SMILESC(\C1=NC(c2ccccc2)CO1)=c1\[n-]/c(=C\C2=NC(c3ccccc3)CO2)c2ccccc12.[CH2-][Si](C)(C)C.[Fe+2]
InChIInChI=1S/C28H22N3O2.C4H11Si.Fe/c1-3-9-19(10-4-1)25-17-32-27(30-25)15-23-21-13-7-8-14-22(21)24(29-23)16-28-31-26(18-33-28)20-11-5-2-6-12-20;1-5(2,3)4;/h1-16,25-26H,17-18H2;1H2,2-4H3;/q2*-1;+2/b23-15-,24-16-;;
InChIKeyAPFDVBADEMNDFN-ASTJOKIBSA-N
XLogP5.39
TPSA57.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.57
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole 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 iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole (CID 162405834) is iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole is C(\C1=NC(c2ccccc2)CO1)=c1\[n-]/c(=C\C2=NC(c3ccccc3)CO2)c2ccccc12.[CH2-][Si](C)(C)C.[Fe+2].
What is the InChIKey of iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is APFDVBADEMNDFN-ASTJOKIBSA-N. The full InChI is InChI=1S/C28H22N3O2.C4H11Si.Fe/c1-3-9-19(10-4-1)25-17-32-27(30-25)15-23-21-13-7-8-14-22(21)24(29-23)16-28-31-26(18-33-28)20-11-5-2-6-12-20;1-5(2,3)4;/h1-16,25-26H,17-18H2;1H2,2-4H3;/q2*-1;+2/b23-15-,24-16-;;.
What are the key properties of iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?
iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 575.57 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);methanidyl(trimethyl)silane;4-phenyl-2-[(Z)-[(3Z)-3-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methylidene]isoindol-2-id-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 162405834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).