tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)

C272H176B4Cu8F96N24O8 — CID 139137174

IUPACtetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
SMILESCc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+].[Cu+].[Cu+].[Cu+]
InChIInChI=1S/4C32H12BF24.8C18H17N3O.8Cu/c4*34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;8*1-12-6-3-8-14(19-12)18(15-9-4-7-13(2)20-15)16-10-5-11-17(22)21-16;;;;;;;;/h4*1-12H;8*3-11,18H,1-2H3,(H,21,22);;;;;;;;/q4*-1;;;;;;;;;4*+1;4*+2/p-8
InChIKeyDOOZIBCXYAIDPK-UHFFFAOYSA-F
MW6283.98 g/mol
LogP66.78
Rot. Bonds40

About tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)

tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide) (PubChem CID 139137174) has the molecular formula C272H176B4Cu8F96N24O8 and a molecular weight of 6283.98 g/mol. Its IUPAC name is tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide).

Molecular Properties

Compound Nametetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
PubChem CID139137174
Molecular FormulaC272H176B4Cu8F96N24O8
Molecular Weight6283.98 g/mol
Exact Mass6276.73
IUPAC Nametetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
SMILESCc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+].[Cu+].[Cu+].[Cu+]
InChIInChI=1S/4C32H12BF24.8C18H17N3O.8Cu/c4*34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;8*1-12-6-3-8-14(19-12)18(15-9-4-7-13(2)20-15)16-10-5-11-17(22)21-16;;;;;;;;/h4*1-12H;8*3-11,18H,1-2H3,(H,21,22);;;;;;;;/q4*-1;;;;;;;;;4*+1;4*+2/p-8
InChIKeyDOOZIBCXYAIDPK-UHFFFAOYSA-F
XLogP66.78
TPSA493.84 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds40
Heavy Atoms412
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006283.98
LogP ≤ 566.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide) with MolForge

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Related Compounds

Bis(cyclohexane);hexakis(2-methylphenolate);tris(5,10,15,20-tetrakis(4-methylphenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide);tris(tin(2+))
CID 139201530

Frequently Asked Questions

What is the IUPAC name of tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)?
The IUPAC name of tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide) (CID 139137174) is tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide).
What is the SMILES notation for tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)?
The canonical SMILES for tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide) is Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.Cc1cccc(C(c2cccc(C)n2)c2cccc([O-])n2)n1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+].[Cu+].[Cu+].[Cu+].
What is the InChIKey of tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)?
The InChIKey is DOOZIBCXYAIDPK-UHFFFAOYSA-F. The full InChI is InChI=1S/4C32H12BF24.8C18H17N3O.8Cu/c4*34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;8*1-12-6-3-8-14(19-12)18(15-9-4-7-13(2)20-15)16-10-5-11-17(22)21-16;;;;;;;;/h4*1-12H;8*3-11,18H,1-2H3,(H,21,22);;;;;;;;/q4*-1;;;;;;;;;4*+1;4*+2/p-8.
What are the key properties of tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)?
tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide) has a molecular weight of 6283.98 g/mol, XLogP of 66.78, 40 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tetracopper;octakis(6-[bis(6-methyl-2-pyridinyl)methyl]pyridin-2-olate);tetrakis(copper(1+));tetrakis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide) is sourced from PubChem (CID 139137174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).