dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol

C83H67Br4Cs2FN13O5+ — CID 157247070

About dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol

dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol (PubChem CID 157247070) has the molecular formula C83H67Br4Cs2FN13O5+ and a molecular weight of 1931.97 g/mol. Its IUPAC name is dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol.

Molecular Properties

• Compound Name: dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol
• PubChem CID: 157247070
• Molecular Formula: C83H67Br4Cs2FN13O5+
• Molecular Weight: 1931.97 g/mol
• Exact Mass: 1927.03
• IUPAC Name: dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol
• SMILES: Brc1ccccc1Br.C.C.Cc1cc(-c2cccc(Br)n2)n[nH]1.Cc1cc2c3nc(Br)ccc3c3ccccc3n2n1.Cc1cc2c3nc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)ccc3c3ccccc3n2n1.Oc1ccc2c3ccccc3n(-c3ccccn3)c2c1.[2H]OOC=O.[CH2-]F.[Cs+].[Cs+]
• InChI: InChI=1S/C32H21N5O.C17H12N2O.C15H10BrN3.C9H8BrN3.C6H4Br2.CH2F.CH2O3.2CH4.2Cs/c1-20-18-29-32-25(23-9-3-5-11-27(23)37(29)35-20)15-16-31(34-32)38-21-13-14-24-22-8-2-4-10-26(22)36(28(24)19-21)30-12-6-7-17-33-30;20-12-8-9-14-13-5-1-2-6-15(13)19(16(14)11-12)17-7-3-4-10-18-17;1-9-8-13-15-11(6-7-14(16)17-15)10-4-2-3-5-12(10)19(13)18-9;1-6-5-8(13-12-6)7-3-2-4-9(10)11-7;7-5-3-1-2-4-6(5)8;1-2;2-1-4-3;;;;/h2-19H,1H3;1-11,20H;2-8H,1H3;2-5H,1H3,(H,12,13);1-4H;1H2;1,3H;2*1H4;;/q;;;;;-1;;;;2*+1/i/hD
• InChIKey: CHEFXRSDQCFZFK-DYCDLGHISA-N
• XLogP: 17.03
• TPSA: 213.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1931.97
LogP ≤ 5	17.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol?

The IUPAC name of dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol (CID 157247070) is dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol.

What is the SMILES notation for dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol?

The canonical SMILES for dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol is Brc1ccccc1Br.C.C.Cc1cc(-c2cccc(Br)n2)n[nH]1.Cc1cc2c3nc(Br)ccc3c3ccccc3n2n1.Cc1cc2c3nc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)ccc3c3ccccc3n2n1.Oc1ccc2c3ccccc3n(-c3ccccn3)c2c1.[2H]OOC=O.[CH2-]F.[Cs+].[Cs+].

What is the InChIKey of dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol?

The InChIKey is CHEFXRSDQCFZFK-DYCDLGHISA-N. The full InChI is InChI=1S/C32H21N5O.C17H12N2O.C15H10BrN3.C9H8BrN3.C6H4Br2.CH2F.CH2O3.2CH4.2Cs/c1-20-18-29-32-25(23-9-3-5-11-27(23)37(29)35-20)15-16-31(34-32)38-21-13-14-24-22-8-2-4-10-26(22)36(28(24)19-21)30-12-6-7-17-33-30;20-12-8-9-14-13-5-1-2-6-15(13)19(16(14)11-12)17-7-3-4-10-18-17;1-9-8-13-15-11(6-7-14(16)17-15)10-4-2-3-5-12(10)19(13)18-9;1-6-5-8(13-12-6)7-3-2-4-9(10)11-7;7-5-3-1-2-4-6(5)8;1-2;2-1-4-3;;;;/h2-19H,1H3;1-11,20H;2-8H,1H3;2-5H,1H3,(H,12,13);1-4H;1H2;1,3H;2*1H4;;/q;;;;;-1;;;;2*+1/i/hD.

What are the key properties of dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol?

dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol has a molecular weight of 1931.97 g/mol, XLogP of 17.03, 7 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;2-bromo-6-(5-methyl-1H-pyrazol-3-yl)pyridine;9-bromo-4-methyl-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;deuteriooxy formate;1,2-dibromobenzene;fluoromethane;methane;4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene;9-pyridin-2-ylcarbazol-2-ol is sourced from PubChem (CID 157247070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).