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

C40H26N2O4 — CID 4561521

IUPAC6,13-dibenzhydryl-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)N1C(c1ccccc1)c1ccccc1)C(=O)N(C(c1ccccc1)c1ccccc1)C3=O
InChIInChI=1S/C40H26N2O4/c43-37-29-21-23-31-34-32(40(46)42(39(31)45)36(27-17-9-3-10-18-27)28-19-11-4-12-20-28)24-22-30(33(29)34)38(44)41(37)35(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-24,35-36H
InChIKeyGTKAMUHWWUFCJH-UHFFFAOYSA-N
MW598.66 g/mol
LogP7.61
Rot. Bonds6

About 6,13-dibenzhydryl-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-dibenzhydryl-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 4561521) has the molecular formula C40H26N2O4 and a molecular weight of 598.66 g/mol. Its IUPAC name is 6,13-dibenzhydryl-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-dibenzhydryl-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 CID4561521
Molecular FormulaC40H26N2O4
Molecular Weight598.66 g/mol
Exact Mass598.19
IUPAC Name6,13-dibenzhydryl-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)N1C(c1ccccc1)c1ccccc1)C(=O)N(C(c1ccccc1)c1ccccc1)C3=O
InChIInChI=1S/C40H26N2O4/c43-37-29-21-23-31-34-32(40(46)42(39(31)45)36(27-17-9-3-10-18-27)28-19-11-4-12-20-28)24-22-30(33(29)34)38(44)41(37)35(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-24,35-36H
InChIKeyGTKAMUHWWUFCJH-UHFFFAOYSA-N
XLogP7.61
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.66
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,13-dibenzhydryl-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

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 6,13-dibenzhydryl-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-dibenzhydryl-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 4561521) is 6,13-dibenzhydryl-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-dibenzhydryl-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-dibenzhydryl-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)N1C(c1ccccc1)c1ccccc1)C(=O)N(C(c1ccccc1)c1ccccc1)C3=O.
What is the InChIKey of 6,13-dibenzhydryl-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 GTKAMUHWWUFCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O4/c43-37-29-21-23-31-34-32(40(46)42(39(31)45)36(27-17-9-3-10-18-27)28-19-11-4-12-20-28)24-22-30(33(29)34)38(44)41(37)35(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-24,35-36H.
What are the key properties of 6,13-dibenzhydryl-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-dibenzhydryl-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 598.66 g/mol, XLogP of 7.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dibenzhydryl-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 4561521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).