6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C36H25N3O5 — CID 59005379

About 6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (PubChem CID 59005379) has the molecular formula C36H25N3O5 and a molecular weight of 579.61 g/mol. Its IUPAC name is 6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

Molecular Properties

• Compound Name: 6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
• PubChem CID: 59005379
• Molecular Formula: C36H25N3O5
• Molecular Weight: 579.61 g/mol
• Exact Mass: 579.18
• IUPAC Name: 6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
• SMILES: O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(C2CCCC2)cc1)C(=O)N(c1cccc(Oc2ccccn2)c1)C3=O
• InChI: InChI=1S/C36H25N3O5/c40-33-26-15-17-28-32-29(36(43)39(35(28)42)24-8-5-9-25(20-24)44-30-10-3-4-19-37-30)18-16-27(31(26)32)34(41)38(33)23-13-11-22(12-14-23)21-6-1-2-7-21/h3-5,8-21H,1-2,6-7H2
• InChIKey: OBNIVBKUYUYJTN-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 96.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.61
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?

The IUPAC name of 6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (CID 59005379) is 6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

What is the SMILES notation for 6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?

The canonical SMILES for 6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(C2CCCC2)cc1)C(=O)N(c1cccc(Oc2ccccn2)c1)C3=O.

What is the InChIKey of 6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?

The InChIKey is OBNIVBKUYUYJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3O5/c40-33-26-15-17-28-32-29(36(43)39(35(28)42)24-8-5-9-25(20-24)44-30-10-3-4-19-37-30)18-16-27(31(26)32)34(41)38(33)23-13-11-22(12-14-23)21-6-1-2-7-21/h3-5,8-21H,1-2,6-7H2.

What are the key properties of 6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?

6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone has a molecular weight of 579.61 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 59005379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).