dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide

C88H78Br4ClFK2N4O7 — CID 160773069

IUPACdipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide
SMILESBrCCCBr.ClCc1ccc2ccccc2c1.O=CO[O-].Oc1ccc2ncccc2c1.[2H]CF.[Br-].[Br-].[H-].[K+].[K+].c1ccc2cc(COc3ccc4c(ccc[n+]4CCC[n+]4cccc5cc(OCc6cccc7ccccc67)ccc54)c3)ccc2c1.c1ccc2cc(COc3ccc4ncccc4c3)ccc2c1
InChIInChI=1S/C43H36N2O2.C20H15NO.C11H9Cl.C9H7NO.C3H6Br2.CH3F.CH2O3.2BrH.2K.H/c1-2-11-35-27-32(17-18-33(35)9-1)30-46-39-19-21-42-36(28-39)14-6-23-44(42)25-8-26-45-24-7-15-37-29-40(20-22-43(37)45)47-31-38-13-5-12-34-10-3-4-16-41(34)38;1-2-5-17-12-15(7-8-16(17)4-1)14-22-19-9-10-20-18(13-19)6-3-11-21-20;12-8-9-5-6-10-3-1-2-4-11(10)7-9;11-8-3-4-9-7(6-8)2-1-5-10-9;4-2-1-3-5;1-2;2-1-4-3;;;;;/h1-7,9-24,27-29H,8,25-26,30-31H2;1-13H,14H2;1-7H,8H2;1-6,11H;1-3H2;1H3;1,3H;2*1H;;;/q+2;;;;;;;;;2*+1;-1/p-3/i;;;;;1D;;;;;;
InChIKeyLIJMSTAIEOWQPK-WDPNZIKQSA-K
MW1756.88 g/mol
LogP8.92
Rot. Bonds17

About dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide

dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide (PubChem CID 160773069) has the molecular formula C88H78Br4ClFK2N4O7 and a molecular weight of 1756.88 g/mol. Its IUPAC name is dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide.

Molecular Properties

Compound Namedipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide
PubChem CID160773069
Molecular FormulaC88H78Br4ClFK2N4O7
Molecular Weight1756.88 g/mol
Exact Mass1751.16
IUPAC Namedipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide
SMILESBrCCCBr.ClCc1ccc2ccccc2c1.O=CO[O-].Oc1ccc2ncccc2c1.[2H]CF.[Br-].[Br-].[H-].[K+].[K+].c1ccc2cc(COc3ccc4c(ccc[n+]4CCC[n+]4cccc5cc(OCc6cccc7ccccc67)ccc54)c3)ccc2c1.c1ccc2cc(COc3ccc4ncccc4c3)ccc2c1
InChIInChI=1S/C43H36N2O2.C20H15NO.C11H9Cl.C9H7NO.C3H6Br2.CH3F.CH2O3.2BrH.2K.H/c1-2-11-35-27-32(17-18-33(35)9-1)30-46-39-19-21-42-36(28-39)14-6-23-44(42)25-8-26-45-24-7-15-37-29-40(20-22-43(37)45)47-31-38-13-5-12-34-10-3-4-16-41(34)38;1-2-5-17-12-15(7-8-16(17)4-1)14-22-19-9-10-20-18(13-19)6-3-11-21-20;12-8-9-5-6-10-3-1-2-4-11(10)7-9;11-8-3-4-9-7(6-8)2-1-5-10-9;4-2-1-3-5;1-2;2-1-4-3;;;;;/h1-7,9-24,27-29H,8,25-26,30-31H2;1-13H,14H2;1-7H,8H2;1-6,11H;1-3H2;1H3;1,3H;2*1H;;;/q+2;;;;;;;;;2*+1;-1/p-3/i;;;;;1D;;;;;;
InChIKeyLIJMSTAIEOWQPK-WDPNZIKQSA-K
XLogP8.92
TPSA130.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001756.88
LogP ≤ 58.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide with MolForge

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Related Compounds

Dipotassium;3-[3-[3-[3-[3-[[3,5-bis[[3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenoxy]methyl]-2,4,6-trimethylphenyl]methoxy]phenyl]phenyl]-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]phenol;hydride;oxido formate;1,3,5-tris(bromomethyl)-2,4,6-trimethylbenzene
CID 158425001
Dipotassium;acetyl chloride;3-bromo-6-phenylmethoxyquinoline;3-bromoquinolin-6-ol;(3-bromoquinolin-6-yl) acetate;hydride;methane;oxido formate;quinolin-6-ol;quinolin-6-yl acetate;tetrachloromethane
CID 159264255

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide?
The IUPAC name of dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide (CID 160773069) is dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide.
What is the SMILES notation for dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide?
The canonical SMILES for dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide is BrCCCBr.ClCc1ccc2ccccc2c1.O=CO[O-].Oc1ccc2ncccc2c1.[2H]CF.[Br-].[Br-].[H-].[K+].[K+].c1ccc2cc(COc3ccc4c(ccc[n+]4CCC[n+]4cccc5cc(OCc6cccc7ccccc67)ccc54)c3)ccc2c1.c1ccc2cc(COc3ccc4ncccc4c3)ccc2c1.
What is the InChIKey of dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide?
The InChIKey is LIJMSTAIEOWQPK-WDPNZIKQSA-K. The full InChI is InChI=1S/C43H36N2O2.C20H15NO.C11H9Cl.C9H7NO.C3H6Br2.CH3F.CH2O3.2BrH.2K.H/c1-2-11-35-27-32(17-18-33(35)9-1)30-46-39-19-21-42-36(28-39)14-6-23-44(42)25-8-26-45-24-7-15-37-29-40(20-22-43(37)45)47-31-38-13-5-12-34-10-3-4-16-41(34)38;1-2-5-17-12-15(7-8-16(17)4-1)14-22-19-9-10-20-18(13-19)6-3-11-21-20;12-8-9-5-6-10-3-1-2-4-11(10)7-9;11-8-3-4-9-7(6-8)2-1-5-10-9;4-2-1-3-5;1-2;2-1-4-3;;;;;/h1-7,9-24,27-29H,8,25-26,30-31H2;1-13H,14H2;1-7H,8H2;1-6,11H;1-3H2;1H3;1,3H;2*1H;;;/q+2;;;;;;;;;2*+1;-1/p-3/i;;;;;1D;;;;;;.
What are the key properties of dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide?
dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide has a molecular weight of 1756.88 g/mol, XLogP of 8.92, 17 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-(chloromethyl)naphthalene;deuterio(fluoro)methane;1,3-dibromopropane;hydride;6-(naphthalen-1-ylmethoxy)-1-[3-[6-(naphthalen-2-ylmethoxy)quinolin-1-ium-1-yl]propyl]quinolin-1-ium;6-(naphthalen-2-ylmethoxy)quinoline;oxido formate;quinolin-6-ol;dibromide is sourced from PubChem (CID 160773069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).