dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane)

C216H336B6F6N36O48 — CID 157391269

IUPACdodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane)
SMILESCCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/12C18H28N3O3.6BFO2/c12*1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;6*2-1(3)4/h12*13-14H,3-12H2,1-2H3;;;;;;/q12*+1;6*-2
InChIKeyBMALMWMLGWDGES-UHFFFAOYSA-N
MW4384.13 g/mol
LogP38.36
Rot. Bonds108

About dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane)

dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane) (PubChem CID 157391269) has the molecular formula C216H336B6F6N36O48 and a molecular weight of 4384.13 g/mol. Its IUPAC name is dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane).

Molecular Properties

Compound Namedodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane)
PubChem CID157391269
Molecular FormulaC216H336B6F6N36O48
Molecular Weight4384.13 g/mol
Exact Mass4382.54
IUPAC Namedodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane)
SMILESCCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/12C18H28N3O3.6BFO2/c12*1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;6*2-1(3)4/h12*13-14H,3-12H2,1-2H3;;;;;;/q12*+1;6*-2
InChIKeyBMALMWMLGWDGES-UHFFFAOYSA-N
XLogP38.36
TPSA985.68 Ų
H-Bond Donors
H-Bond Acceptors72
Rotatable Bonds108
Heavy Atoms312
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004384.13
LogP ≤ 538.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1072

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Related Compounds

2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium perchlorate
CID 71382500
2,5-dibutoxy-4-morpholin-4-ylaniline sulfate
CID 6366686
2,5-dibutoxy-4-morpholin-4-ylaniline;sulfuric acid
CID 3025701
bis(2,5-dimethoxy-4-morpholin-4-ylbenzenediazonium);sulfate
CID 139664478
2,5-diethoxy-4-pyrrolidin-1-ylbenzenediazonium tetrafluoroborate
CID 21118152
4-morpholin-4-yl-2,5-di(propan-2-yloxy)benzenediazonium chloride
CID 73011068
2-butoxy-5-methyl-4-morpholin-4-ylbenzonitrile
CID 59960010
bis(5-butan-2-yloxy-2-methoxy-4-morpholin-4-ylbenzenediazonium);sulfate
CID 88818752
5-methoxy-4-morpholin-4-yl-2-(trifluoromethyl)benzenediazonium chloride
CID 159987480
2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3508709
4-(3,6-dibutoxy-2-nitrophenyl)morpholine
CID 14047752
2-butoxy-5-morpholin-4-ylbenzoic acid
CID 70668670

Frequently Asked Questions

What is the IUPAC name of dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane)?
The IUPAC name of dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane) (CID 157391269) is dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane).
What is the SMILES notation for dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane)?
The canonical SMILES for dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane) is CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+]#N.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.
What is the InChIKey of dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane)?
The InChIKey is BMALMWMLGWDGES-UHFFFAOYSA-N. The full InChI is InChI=1S/12C18H28N3O3.6BFO2/c12*1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2;6*2-1(3)4/h12*13-14H,3-12H2,1-2H3;;;;;;/q12*+1;6*-2.
What are the key properties of dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane)?
dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane) has a molecular weight of 4384.13 g/mol, XLogP of 38.36, 108 rotatable bonds, 0 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for dodecakis(2,5-dibutoxy-4-morpholin-4-ylbenzenediazonium);hexakis(fluoro(dioxido)borane) is sourced from PubChem (CID 157391269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).