octacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)

C328H144B8Cu8F160N40 — CID 139127350

IUPACoctacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
SMILESFc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].c1ccc(CN(CCc2c[n-]cn2)Cc2ccccn2)nc1.c1ccc(CN(CCc2c[n-]cn2)Cc2ccccn2)nc1.c1ccc(CN(CCc2c[n-]cn2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1
InChIInChI=1S/8C24BF20.8C17H18N5.8Cu/c8*26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;8*1-3-8-19-16(5-1)12-22(10-7-15-11-18-14-21-15)13-17-6-2-4-9-20-17;;;;;;;;/h;;;;;;;;8*1-6,8-9,11,14H,7,10,12-13H2;;;;;;;;/q16*-1;8*+2
InChIKeyNPJRZZCJMWIJPU-UHFFFAOYSA-N
MW8279.58 g/mol
LogP63.34
Rot. Bonds88

About octacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)

octacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) (PubChem CID 139127350) has the molecular formula C328H144B8Cu8F160N40 and a molecular weight of 8279.58 g/mol. Its IUPAC name is octacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide).

Molecular Properties

Compound Nameoctacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
PubChem CID139127350
Molecular FormulaC328H144B8Cu8F160N40
Molecular Weight8279.58 g/mol
Exact Mass8272.51
IUPAC Nameoctacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
SMILESFc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].c1ccc(CN(CCc2c[n-]cn2)Cc2ccccn2)nc1.c1ccc(CN(CCc2c[n-]cn2)Cc2ccccn2)nc1.c1ccc(CN(CCc2c[n-]cn2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1
InChIInChI=1S/8C24BF20.8C17H18N5.8Cu/c8*26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;8*1-3-8-19-16(5-1)12-22(10-7-15-11-18-14-21-15)13-17-6-2-4-9-20-17;;;;;;;;/h;;;;;;;;8*1-6,8-9,11,14H,7,10,12-13H2;;;;;;;;/q16*-1;8*+2
InChIKeyNPJRZZCJMWIJPU-UHFFFAOYSA-N
XLogP63.34
TPSA448.08 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds88
Heavy Atoms544
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5008279.58
LogP ≤ 563.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze octacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) with MolForge

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Related Compounds

Bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));tetrakis(iridium);tetrakis(2-phenylpyridine);tetrakis(2-pyridin-2-ylbenzimidazol-1-ide)
CID 59010562
Pentakis(3,5-bis(trifluoromethyl)pyrazol-1-ide);pentakis(copper(1+));tetrakis(iridium);iridium(3+);hexakis(2-phenylpyridine);pentakis(2-pyridin-2-ylbenzimidazol-1-ide)
CID 157328163
2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;octakis(1-phenyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157372083
2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(3-fluorobenzene-6-id-1-yl)-3-(3-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157470651
2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-3-ium-2-ide);tetrakis(iridium);bis(2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine);hexakis(1-methyl-3-phenyl-2H-imidazol-1-ium-2-ide);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 157953468
2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(4-fluorobenzene-6-id-1-yl)-3-(4-fluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 158141578
3-[6-[2-[6-(4-tert-butylimidazol-1-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;3-[6-[2-[6-(4-deuterioimidazol-1-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-difluoro-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[4-fluoro-5-(trifluoromethyl)imidazol-3-id-2-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-(4-methylimidazol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[6-[4-(trideuteriomethyl)imidazol-1-id-2-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;pentakis(platinum(2+))
CID 158231872
2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(2,4-difluorobenzene-6-id-1-yl)-3-(2,4-difluorophenyl)-4,5-dimethyl-2H-imidazol-3-ium-2-ide);tris(iridium);2-pyrazol-2-id-3-ylpyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 158610471
Tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);3-(4,5-dimethylimidazol-3-id-2-yl)-9-methylpyrido[3,4-b]indole;3-imidazol-3-id-2-yl-9-methylpyrido[3,4-b]indole;tetrakis(iridium);9-methyl-3-(4-methylimidazol-1-id-2-yl)pyrido[3,4-b]indole;9-methyl-3-[4-(trifluoromethyl)imidazol-1-id-2-yl]pyrido[3,4-b]indole
CID 159265630
2-(1,2-diaza-3-azanidacyclopenta-1,4-dien-4-yl)pyridine;hexakis(1-(3-fluorobenzene-6-id-1-yl)-3-(3-fluorophenyl)-2H-benzimidazol-3-ium-2-ide);tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine
CID 159579047
2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;platinum;2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
CID 159692908
2-(benzimidazol-1-id-2-yl)-N,N-dimethylpyridin-4-amine;2-[4,5-bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;pentakis(iridium);2-pyrimidin-2-ylbenzimidazol-1-ide;4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide;2-(1,3,5-triazin-2-yl)benzimidazol-1-ide
CID 159890232

Frequently Asked Questions

What is the IUPAC name of octacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?
The IUPAC name of octacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) (CID 139127350) is octacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide).
What is the SMILES notation for octacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?
The canonical SMILES for octacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) is Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].c1ccc(CN(CCc2c[n-]cn2)Cc2ccccn2)nc1.c1ccc(CN(CCc2c[n-]cn2)Cc2ccccn2)nc1.c1ccc(CN(CCc2c[n-]cn2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1.c1ccc(CN(CCc2cnc[n-]2)Cc2ccccn2)nc1.
What is the InChIKey of octacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?
The InChIKey is NPJRZZCJMWIJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/8C24BF20.8C17H18N5.8Cu/c8*26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33;8*1-3-8-19-16(5-1)12-22(10-7-15-11-18-14-21-15)13-17-6-2-4-9-20-17;;;;;;;;/h;;;;;;;;8*1-6,8-9,11,14H,7,10,12-13H2;;;;;;;;/q16*-1;8*+2.
What are the key properties of octacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?
octacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) has a molecular weight of 8279.58 g/mol, XLogP of 63.34, 88 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for octacopper;tris(2-imidazol-1-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);pentakis(2-imidazol-3-id-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);octakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) is sourced from PubChem (CID 139127350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).