2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

C54H34Cl8N6O12 — CID 158919079

About 2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (PubChem CID 158919079) has the molecular formula C54H34Cl8N6O12 and a molecular weight of 1242.52 g/mol. Its IUPAC name is 2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.

Molecular Properties

• Compound Name: 2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
• PubChem CID: 158919079
• Molecular Formula: C54H34Cl8N6O12
• Molecular Weight: 1242.52 g/mol
• Exact Mass: 1237.97
• IUPAC Name: 2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
• SMILES: CCN1C(=O)c2c(Cl)c(Cl)c3c4c(c(Cl)c(Cl)c(c24)C1=O)C(=O)N(CC)C3=O.CCN1C(=O)c2cc(Cl)c3c4c(c(Cl)cc(c24)C1=O)C(=O)N(CC)C3=O.CCN1C(=O)c2cc(Cl)c3c4c(cc(Cl)c(c24)C1=O)C(=O)N(CC)C3=O
• InChI: InChI=1S/C18H10Cl4N2O4.2C18H12Cl2N2O4/c1-3-23-15(25)7-5-6-9(13(21)11(7)19)17(27)24(4-2)18(28)10(6)14(22)12(20)8(5)16(23)26;1-3-21-15(23)7-5-10(20)14-12-8(16(24)22(4-2)18(14)26)6-9(19)13(11(7)12)17(21)25;1-3-21-15(23)7-5-9(19)12-14-11(7)8(16(21)24)6-10(20)13(14)18(26)22(4-2)17(12)25/h3-4H2,1-2H3;2*5-6H,3-4H2,1-2H3
• InChIKey: JHPKMNMQUBODAW-UHFFFAOYSA-N
• XLogP: 11.44
• TPSA: 224.28 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1242.52
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?

The IUPAC name of 2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (CID 158919079) is 2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone.

What is the SMILES notation for 2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?

The canonical SMILES for 2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is CCN1C(=O)c2c(Cl)c(Cl)c3c4c(c(Cl)c(Cl)c(c24)C1=O)C(=O)N(CC)C3=O.CCN1C(=O)c2cc(Cl)c3c4c(c(Cl)cc(c24)C1=O)C(=O)N(CC)C3=O.CCN1C(=O)c2cc(Cl)c3c4c(cc(Cl)c(c24)C1=O)C(=O)N(CC)C3=O.

What is the InChIKey of 2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?

The InChIKey is JHPKMNMQUBODAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl4N2O4.2C18H12Cl2N2O4/c1-3-23-15(25)7-5-6-9(13(21)11(7)19)17(27)24(4-2)18(28)10(6)14(22)12(20)8(5)16(23)26;1-3-21-15(23)7-5-10(20)14-12-8(16(24)22(4-2)18(14)26)6-9(19)13(11(7)12)17(21)25;1-3-21-15(23)7-5-9(19)12-14-11(7)8(16(21)24)6-10(20)13(14)18(26)22(4-2)17(12)25/h3-4H2,1-2H3;2*5-6H,3-4H2,1-2H3.

What are the key properties of 2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?

2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone has a molecular weight of 1242.52 g/mol, XLogP of 11.44, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,9-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,10-dichloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone;2,3,9,10-tetrachloro-6,13-diethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 158919079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).