4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline

C59H62Br2N4O2 — CID 143608611

About 4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline

4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline (PubChem CID 143608611) has the molecular formula C59H62Br2N4O2 and a molecular weight of 1018.98 g/mol. Its IUPAC name is 4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline.

Molecular Properties

• Compound Name: 4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline
• PubChem CID: 143608611
• Molecular Formula: C59H62Br2N4O2
• Molecular Weight: 1018.98 g/mol
• Exact Mass: 1016.32
• IUPAC Name: 4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline
• SMILES: CCCCCCC1=C2C(CCCCCC)Cn3c(nc4c5cc(Br)ccc5c5ccc(Br)cc5c43)C2(C)C=CC1(C)O.CCOc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
• InChI: InChI=1S/C37H44Br2N2O.C22H18N2O/c1-5-7-9-11-13-24-23-41-34-30-22-26(39)16-18-28(30)27-17-15-25(38)21-29(27)33(34)40-35(41)36(3)19-20-37(4,42)31(32(24)36)14-12-10-8-6-2;1-2-25-18-13-14-19-20(15-18)24-22(17-11-7-4-8-12-17)21(23-19)16-9-5-3-6-10-16/h15-22,24,42H,5-14,23H2,1-4H3;3-15H,2H2,1H3
• InChIKey: PWBQFVDPHLBDCR-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 73.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1018.98
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline?

The IUPAC name of 4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline (CID 143608611) is 4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline.

What is the SMILES notation for 4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline?

The canonical SMILES for 4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline is CCCCCCC1=C2C(CCCCCC)Cn3c(nc4c5cc(Br)ccc5c5ccc(Br)cc5c43)C2(C)C=CC1(C)O.CCOc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.

What is the InChIKey of 4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline?

The InChIKey is PWBQFVDPHLBDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44Br2N2O.C22H18N2O/c1-5-7-9-11-13-24-23-41-34-30-22-26(39)16-18-28(30)27-17-15-25(38)21-29(27)33(34)40-35(41)36(3)19-20-37(4,42)31(32(24)36)14-12-10-8-6-2;1-2-25-18-13-14-19-20(15-18)24-22(17-11-7-4-8-12-17)21(23-19)16-9-5-3-6-10-16/h15-22,24,42H,5-14,23H2,1-4H3;3-15H,2H2,1H3.

What are the key properties of 4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline?

4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline has a molecular weight of 1018.98 g/mol, XLogP of 16.68, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,11-dibromo-17,19-dihexyl-20,23-dimethyl-15,25-diazahexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1,3,5,7,9,11,13,18,21,24-decaen-20-ol;6-ethoxy-2,3-diphenylquinoxaline is sourced from PubChem (CID 143608611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).