14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione

C24H12Br2N2O2 — CID 122491857

About 14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione

14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione (PubChem CID 122491857) has the molecular formula C24H12Br2N2O2 and a molecular weight of 520.18 g/mol. Its IUPAC name is 14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione.

Molecular Properties

• Compound Name: 14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione
• PubChem CID: 122491857
• Molecular Formula: C24H12Br2N2O2
• Molecular Weight: 520.18 g/mol
• Exact Mass: 517.93
• IUPAC Name: 14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione
• SMILES: CN1C(=O)c2ccc3c4cc(Br)c5c6c(ccc(c7cc(Br)c1c2c37)c64)C(=O)N5C
• InChI: InChI=1S/C24H12Br2N2O2/c1-27-21-15(25)7-13-10-4-6-12-20-18(10)14(8-16(26)22(20)28(2)24(12)30)9-3-5-11(23(27)29)19(21)17(9)13/h3-8H,1-2H3
• InChIKey: HQBCSFGLGCLKMB-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.18
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione?

The IUPAC name of 14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione (CID 122491857) is 14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione.

What is the SMILES notation for 14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione?

The canonical SMILES for 14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione is CN1C(=O)c2ccc3c4cc(Br)c5c6c(ccc(c7cc(Br)c1c2c37)c64)C(=O)N5C.

What is the InChIKey of 14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione?

The InChIKey is HQBCSFGLGCLKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Br2N2O2/c1-27-21-15(25)7-13-10-4-6-12-20-18(10)14(8-16(26)22(20)28(2)24(12)30)9-3-5-11(23(27)29)19(21)17(9)13/h3-8H,1-2H3.

What are the key properties of 14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione?

14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione has a molecular weight of 520.18 g/mol, XLogP of 6.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14,23-dibromo-6,16-dimethyl-6,16-diazaheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(21),2(24),3(11),4(8),5(23),9,12,14,18(22),19-decaene-7,17-dione is sourced from PubChem (CID 122491857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).