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

C36H30N2O4 — CID 58934403

IUPAC6,13-bis(4-cyclopentylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(C2CCCC2)cc1)C(=O)N(c1ccc(C2CCCC2)cc1)C3=O
InChIInChI=1S/C36H30N2O4/c39-33-27-17-19-29-32-30(36(42)38(35(29)41)26-15-11-24(12-16-26)22-7-3-4-8-22)20-18-28(31(27)32)34(40)37(33)25-13-9-23(10-14-25)21-5-1-2-6-21/h9-22H,1-8H2
InChIKeyNMTNJCOOJKRYAE-UHFFFAOYSA-N
MW554.65 g/mol
LogP7.76
Rot. Bonds4

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

6,13-bis(4-cyclopentylphenyl)-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 58934403) has the molecular formula C36H30N2O4 and a molecular weight of 554.65 g/mol. Its IUPAC name is 6,13-bis(4-cyclopentylphenyl)-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 Name6,13-bis(4-cyclopentylphenyl)-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 CID58934403
Molecular FormulaC36H30N2O4
Molecular Weight554.65 g/mol
Exact Mass554.22
IUPAC Name6,13-bis(4-cyclopentylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESO=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(C2CCCC2)cc1)C(=O)N(c1ccc(C2CCCC2)cc1)C3=O
InChIInChI=1S/C36H30N2O4/c39-33-27-17-19-29-32-30(36(42)38(35(29)41)26-15-11-24(12-16-26)22-7-3-4-8-22)20-18-28(31(27)32)34(40)37(33)25-13-9-23(10-14-25)21-5-1-2-6-21/h9-22H,1-8H2
InChIKeyNMTNJCOOJKRYAE-UHFFFAOYSA-N
XLogP7.76
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,13-bis(4-cyclopentylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,13-bis(4-cyclopentylphenyl)-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 6,13-bis(4-cyclopentylphenyl)-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 58934403) is 6,13-bis(4-cyclopentylphenyl)-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 6,13-bis(4-cyclopentylphenyl)-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 6,13-bis(4-cyclopentylphenyl)-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(c1ccc(C2CCCC2)cc1)C3=O.
What is the InChIKey of 6,13-bis(4-cyclopentylphenyl)-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 NMTNJCOOJKRYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2O4/c39-33-27-17-19-29-32-30(36(42)38(35(29)41)26-15-11-24(12-16-26)22-7-3-4-8-22)20-18-28(31(27)32)34(40)37(33)25-13-9-23(10-14-25)21-5-1-2-6-21/h9-22H,1-8H2.
What are the key properties of 6,13-bis(4-cyclopentylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
6,13-bis(4-cyclopentylphenyl)-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 554.65 g/mol, XLogP of 7.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-bis(4-cyclopentylphenyl)-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 58934403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).