17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione

C102H50Br6N12O6 — CID 159251068

About 17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione

17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione (PubChem CID 159251068) has the molecular formula C102H50Br6N12O6 and a molecular weight of 2019.02 g/mol. Its IUPAC name is 17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione.

Molecular Properties

• Compound Name: 17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione
• PubChem CID: 159251068
• Molecular Formula: C102H50Br6N12O6
• Molecular Weight: 2019.02 g/mol
• Exact Mass: 2011.91
• IUPAC Name: 17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione
• SMILES: O=c1c2cc(Br)c3c(=O)n4c5cccc6cccc(nc4c4c(Br)cc(c7n1C1CCCc8cccc(c81)N=7)c2c34)c65.O=c1c2cc(Br)c3c(=O)n4c5cccc6cccc(nc4c4cc(Br)c(c7n1C1CCCc8cccc(c81)N=7)c2c34)c65.O=c1c2cc(Br)c3c4c(cc(Br)c(c24)c2nc4cccc5cccc(c54)n12)c(=O)n1c2cccc4cccc(nc31)c42
• InChI: InChI=1S/C34H14Br2N4O2.2C34H18Br2N4O2/c35-19-13-18-28-27-17(33(41)39-23-11-3-7-15-5-1-9-21(25(15)23)37-31(39)29(19)27)14-20(36)30(28)32-38-22-10-2-6-16-8-4-12-24(26(16)22)40(32)34(18)42;35-19-13-17-27-28-18(33(41)40-24-12-4-8-16-6-2-10-22(26(16)24)38-32(40)29(19)28)14-20(36)30(27)34(42)39-23-11-3-7-15-5-1-9-21(25(15)23)37-31(17)39;35-19-13-17-27-18(33(41)39-23-11-3-7-15-5-1-9-21(25(15)23)37-31(17)39)14-20(36)29-30(27)28(19)32-38-22-10-2-6-16-8-4-12-24(26(16)22)40(32)34(29)42/h1-14H;1-3,5-7,9-11,13-14,24H,4,8,12H2;1-2,4-6,8-10,12-14,23H,3,7,11H2
• InChIKey: KVHOGOSRQRDLRV-UHFFFAOYSA-N
• XLogP: 23.16
• TPSA: 206.20 Ų
• H-Bond Acceptors: 18
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2019.02
LogP ≤ 5	23.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}, {'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 17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione?

The IUPAC name of 17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione (CID 159251068) is 17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione.

What is the SMILES notation for 17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione?

The canonical SMILES for 17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione is O=c1c2cc(Br)c3c(=O)n4c5cccc6cccc(nc4c4c(Br)cc(c7n1C1CCCc8cccc(c81)N=7)c2c34)c65.O=c1c2cc(Br)c3c(=O)n4c5cccc6cccc(nc4c4cc(Br)c(c7n1C1CCCc8cccc(c81)N=7)c2c34)c65.O=c1c2cc(Br)c3c4c(cc(Br)c(c24)c2nc4cccc5cccc(c54)n12)c(=O)n1c2cccc4cccc(nc31)c42.

What is the InChIKey of 17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione?

The InChIKey is KVHOGOSRQRDLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H14Br2N4O2.2C34H18Br2N4O2/c35-19-13-18-28-27-17(33(41)39-23-11-3-7-15-5-1-9-21(25(15)23)37-31(39)29(19)27)14-20(36)30(28)32-38-22-10-2-6-16-8-4-12-24(26(16)22)40(32)34(18)42;35-19-13-17-27-28-18(33(41)40-24-12-4-8-16-6-2-10-22(26(16)24)38-32(40)29(19)28)14-20(36)30(27)34(42)39-23-11-3-7-15-5-1-9-21(25(15)23)37-31(17)39;35-19-13-17-27-18(33(41)39-23-11-3-7-15-5-1-9-21(25(15)23)37-31(17)39)14-20(36)29-30(27)28(19)32-38-22-10-2-6-16-8-4-12-24(26(16)22)40(32)34(29)42/h1-14H;1-3,5-7,9-11,13-14,24H,4,8,12H2;1-2,4-6,8-10,12-14,23H,3,7,11H2.

What are the key properties of 17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione?

17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione has a molecular weight of 2019.02 g/mol, XLogP of 23.16, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 17,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.019,30.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,19,21,23,25(37),26,28,32,35-heptadecaene-14,31-dione;16,33-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione;16,34-dibromo-3,13,20,30-tetrazadecacyclo[16.16.2.14,8.121,25.02,13.015,35.020,31.032,36.012,38.029,37]octatriaconta-1(34),2,4,6,8(38),9,11,15,17,25(37),26,28,30,32,35-pentadecaene-14,19-dione is sourced from PubChem (CID 159251068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).