bis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone

C70H64Fe2N6O11 — CID 162300464

IUPACbis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
SMILESC1CCCC1.C1CCCC1.Nc1ccc(C2CCCC2)cc1.O=C1OC(=O)c2cc3c(cc21)C(=O)C(c1nc2ccccc2c(=O)[nH]1)C3=O.O=C1c2cc3c(cc2C(=O)C1c1nc2ccccc2c(=O)[nH]1)C(=O)N(c1ccc(C2CCCC2)cc1)C3=O.[Fe].[Fe]
InChIInChI=1S/C30H21N3O5.C19H8N2O6.C11H15N.2C5H10.2Fe/c34-25-19-13-21-22(30(38)33(29(21)37)17-11-9-16(10-12-17)15-5-1-2-6-15)14-20(19)26(35)24(25)27-31-23-8-4-3-7-18(23)28(36)32-27;22-14-8-5-10-11(19(26)27-18(10)25)6-9(8)15(23)13(14)16-20-12-4-2-1-3-7(12)17(24)21-16;12-11-7-5-10(6-8-11)9-3-1-2-4-9;2*1-2-4-5-3-1;;/h3-4,7-15,24H,1-2,5-6H2,(H,31,32,36);1-6,13H,(H,20,21,24);5-9H,1-4,12H2;2*1-5H2;;
InChIKeyDUXPBYBXYLVSNK-UHFFFAOYSA-N
MW1277.00 g/mol
LogP12.76
Rot. Bonds5

About bis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone

bis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 162300464) has the molecular formula C70H64Fe2N6O11 and a molecular weight of 1277.00 g/mol. Its IUPAC name is bis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

Compound Namebis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
PubChem CID162300464
Molecular FormulaC70H64Fe2N6O11
Molecular Weight1277.00 g/mol
Exact Mass1276.33
IUPAC Namebis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone
SMILESC1CCCC1.C1CCCC1.Nc1ccc(C2CCCC2)cc1.O=C1OC(=O)c2cc3c(cc21)C(=O)C(c1nc2ccccc2c(=O)[nH]1)C3=O.O=C1c2cc3c(cc2C(=O)C1c1nc2ccccc2c(=O)[nH]1)C(=O)N(c1ccc(C2CCCC2)cc1)C3=O.[Fe].[Fe]
InChIInChI=1S/C30H21N3O5.C19H8N2O6.C11H15N.2C5H10.2Fe/c34-25-19-13-21-22(30(38)33(29(21)37)17-11-9-16(10-12-17)15-5-1-2-6-15)14-20(19)26(35)24(25)27-31-23-8-4-3-7-18(23)28(36)32-27;22-14-8-5-10-11(19(26)27-18(10)25)6-9(8)15(23)13(14)16-20-12-4-2-1-3-7(12)17(24)21-16;12-11-7-5-10(6-8-11)9-3-1-2-4-9;2*1-2-4-5-3-1;;/h3-4,7-15,24H,1-2,5-6H2,(H,31,32,36);1-6,13H,(H,20,21,24);5-9H,1-4,12H2;2*1-5H2;;
InChIKeyDUXPBYBXYLVSNK-UHFFFAOYSA-N
XLogP12.76
TPSA266.55 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001277.00
LogP ≤ 512.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze bis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone 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 bis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
The IUPAC name of bis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone (CID 162300464) is bis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone.
What is the SMILES notation for bis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
The canonical SMILES for bis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone is C1CCCC1.C1CCCC1.Nc1ccc(C2CCCC2)cc1.O=C1OC(=O)c2cc3c(cc21)C(=O)C(c1nc2ccccc2c(=O)[nH]1)C3=O.O=C1c2cc3c(cc2C(=O)C1c1nc2ccccc2c(=O)[nH]1)C(=O)N(c1ccc(C2CCCC2)cc1)C3=O.[Fe].[Fe].
What is the InChIKey of bis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
The InChIKey is DUXPBYBXYLVSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O5.C19H8N2O6.C11H15N.2C5H10.2Fe/c34-25-19-13-21-22(30(38)33(29(21)37)17-11-9-16(10-12-17)15-5-1-2-6-15)14-20(19)26(35)24(25)27-31-23-8-4-3-7-18(23)28(36)32-27;22-14-8-5-10-11(19(26)27-18(10)25)6-9(8)15(23)13(14)16-20-12-4-2-1-3-7(12)17(24)21-16;12-11-7-5-10(6-8-11)9-3-1-2-4-9;2*1-2-4-5-3-1;;/h3-4,7-15,24H,1-2,5-6H2,(H,31,32,36);1-6,13H,(H,20,21,24);5-9H,1-4,12H2;2*1-5H2;;.
What are the key properties of bis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone?
bis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 1277.00 g/mol, XLogP of 12.76, 5 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopentane);4-cyclopentylaniline;2-(4-cyclopentylphenyl)-6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f]isoindole-1,3,5,7-tetrone;iron;6-(4-oxo-3H-quinazolin-2-yl)cyclopenta[f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 162300464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).