dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride

C141H120Br2Cl4K2N14O31 — CID 159081188

About dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride

dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride (PubChem CID 159081188) has the molecular formula C141H120Br2Cl4K2N14O31 and a molecular weight of 2886.39 g/mol. Its IUPAC name is dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride
• PubChem CID: 159081188
• Molecular Formula: C141H120Br2Cl4K2N14O31
• Molecular Weight: 2886.39 g/mol
• Exact Mass: 2880.46
• IUPAC Name: dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)OCCCCBr.C=COC(=O)CCCCOc1ccc2cc(-c3noc(-c4cc(-c5nc(-c6ccc7cc(OCCCCOC(=O)C=C)ccc7c6)no5)cc(-c5nc(-c6ccc7cc(OCCCCC(=O)OC=C)ccc7c6)no5)c4)n3)ccc2c1.CO.NO.O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1.O=CO[O-].OCCCCBr.Oc1ccc2cc(-c3noc(-c4cc(-c5nc(-c6ccc7cc(O)ccc7c6)no5)cc(-c5nc(-c6ccc7cc(O)ccc7c6)no5)c4)n3)ccc2c1.[C-]#[N+]c1ccc2cc(O)ccc2c1.[H-].[K+].[K+]
• InChI: InChI=1S/C63H54N6O12.C42H24N6O6.C11H7NO.C9H3Cl3O3.C7H11BrO2.C4H9BrO.C3H3ClO.CH2O3.CH4O.2K.H3NO.H/c1-4-55(70)78-30-12-11-29-77-54-26-23-42-33-48(20-17-45(42)39-54)60-66-63(81-69-60)51-35-49(61-64-58(67-79-61)46-18-15-43-37-52(24-21-40(43)31-46)75-27-9-7-13-56(71)73-5-2)34-50(36-51)62-65-59(68-80-62)47-19-16-44-38-53(25-22-41(44)32-47)76-28-10-8-14-57(72)74-6-3;49-34-10-7-22-13-28(4-1-25(22)19-34)37-43-40(52-46-37)31-16-32(41-44-38(47-53-41)29-5-2-26-20-35(50)11-8-23(26)14-29)18-33(17-31)42-45-39(48-54-42)30-6-3-27-21-36(51)12-9-24(27)15-30;1-12-10-4-2-9-7-11(13)5-3-8(9)6-10;10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15;1-2-7(9)10-6-4-3-5-8;5-3-1-2-4-6;1-2-3(4)5;2-1-4-3;1-2;;;1-2;/h4-6,15-26,31-39H,1-3,7-14,27-30H2;1-21,49-51H;2-7,13H;1-3H;2H,1,3-6H2;6H,1-4H2;2H,1H2;1,3H;2H,1H3;;;2H,1H2;/q;;;;;;;;;2*+1;;-1/p-1
• InChIKey: HETGCKJNMWMELB-UHFFFAOYSA-M
• XLogP: 24.47
• TPSA: 656.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 46
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2886.39
LogP ≤ 5	24.47
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride?

The IUPAC name of dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride (CID 159081188) is dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride.

What is the SMILES notation for dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride?

The canonical SMILES for dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)OCCCCBr.C=COC(=O)CCCCOc1ccc2cc(-c3noc(-c4cc(-c5nc(-c6ccc7cc(OCCCCOC(=O)C=C)ccc7c6)no5)cc(-c5nc(-c6ccc7cc(OCCCCC(=O)OC=C)ccc7c6)no5)c4)n3)ccc2c1.CO.NO.O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1.O=CO[O-].OCCCCBr.Oc1ccc2cc(-c3noc(-c4cc(-c5nc(-c6ccc7cc(O)ccc7c6)no5)cc(-c5nc(-c6ccc7cc(O)ccc7c6)no5)c4)n3)ccc2c1.[C-]#[N+]c1ccc2cc(O)ccc2c1.[H-].[K+].[K+].

What is the InChIKey of dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride?

The InChIKey is HETGCKJNMWMELB-UHFFFAOYSA-M. The full InChI is InChI=1S/C63H54N6O12.C42H24N6O6.C11H7NO.C9H3Cl3O3.C7H11BrO2.C4H9BrO.C3H3ClO.CH2O3.CH4O.2K.H3NO.H/c1-4-55(70)78-30-12-11-29-77-54-26-23-42-33-48(20-17-45(42)39-54)60-66-63(81-69-60)51-35-49(61-64-58(67-79-61)46-18-15-43-37-52(24-21-40(43)31-46)75-27-9-7-13-56(71)73-5-2)34-50(36-51)62-65-59(68-80-62)47-19-16-44-38-53(25-22-41(44)32-47)76-28-10-8-14-57(72)74-6-3;49-34-10-7-22-13-28(4-1-25(22)19-34)37-43-40(52-46-37)31-16-32(41-44-38(47-53-41)29-5-2-26-20-35(50)11-8-23(26)14-29)18-33(17-31)42-45-39(48-54-42)30-6-3-27-21-36(51)12-9-24(27)15-30;1-12-10-4-2-9-7-11(13)5-3-8(9)6-10;10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15;1-2-7(9)10-6-4-3-5-8;5-3-1-2-4-6;1-2-3(4)5;2-1-4-3;1-2;;;1-2;/h4-6,15-26,31-39H,1-3,7-14,27-30H2;1-21,49-51H;2-7,13H;1-3H;2H,1,3-6H2;6H,1-4H2;2H,1H2;1,3H;2H,1H3;;;2H,1H2;/q;;;;;;;;;2*+1;;-1/p-1.

What are the key properties of dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride?

dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride has a molecular weight of 2886.39 g/mol, XLogP of 24.47, 46 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;benzene-1,3,5-tricarbonyl chloride;6-[5-[3,5-bis[3-(6-hydroxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-ol;4-bromobutan-1-ol;4-bromobutyl prop-2-enoate;ethenyl 5-[6-[5-[3-[3-[6-(5-ethenoxy-5-oxopentoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]-5-[3-[6-(4-prop-2-enoyloxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]naphthalen-2-yl]oxypentanoate;hydride;hydroxylamine;6-isocyanonaphthalen-2-ol;methanol;oxido formate;prop-2-enoyl chloride is sourced from PubChem (CID 159081188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).