2,9-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

C52H84Br2N2O4Si2 — CID 132992434

About 2,9-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

2,9-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (PubChem CID 132992434) has the molecular formula C52H84Br2N2O4Si2 and a molecular weight of 1017.23 g/mol. Its IUPAC name is 2,9-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-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-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
• PubChem CID: 132992434
• Molecular Formula: C52H84Br2N2O4Si2
• Molecular Weight: 1017.23 g/mol
• Exact Mass: 1014.43
• IUPAC Name: 2,9-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
• SMILES: CCCCCC[Si](C)(CCCCCC)CCCCCCN1C(=O)c2cc(Br)c3c4c(cc(Br)c(c24)C1=O)C(=O)N(CCCCCC[Si](C)(CCCCCC)CCCCCC)C3=O
• InChI: InChI=1S/C52H84Br2N2O4Si2/c1-7-11-15-25-33-61(5,34-26-16-12-8-2)37-29-21-19-23-31-55-49(57)41-39-44(54)48-46-42(40-43(53)47(45(41)46)51(55)59)50(58)56(52(48)60)32-24-20-22-30-38-62(6,35-27-17-13-9-3)36-28-18-14-10-4/h39-40H,7-38H2,1-6H3
• InChIKey: LIJRZGMLDNOIFC-UHFFFAOYSA-N
• XLogP: 17.16
• TPSA: 74.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 34
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.23
LogP ≤ 5	17.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,9-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-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-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone (CID 132992434) is 2,9-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-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-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-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-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone is CCCCCC[Si](C)(CCCCCC)CCCCCCN1C(=O)c2cc(Br)c3c4c(cc(Br)c(c24)C1=O)C(=O)N(CCCCCC[Si](C)(CCCCCC)CCCCCC)C3=O.

What is the InChIKey of 2,9-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-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 LIJRZGMLDNOIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H84Br2N2O4Si2/c1-7-11-15-25-33-61(5,34-26-16-12-8-2)37-29-21-19-23-31-55-49(57)41-39-44(54)48-46-42(40-43(53)47(45(41)46)51(55)59)50(58)56(52(48)60)32-24-20-22-30-38-62(6,35-27-17-13-9-3)36-28-18-14-10-4/h39-40H,7-38H2,1-6H3.

What are the key properties of 2,9-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone?

2,9-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-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 1017.23 g/mol, XLogP of 17.16, 34 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,9-dibromo-6,13-bis[6-[dihexyl(methyl)silyl]hexyl]-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 132992434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).