benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))

C72H36Cu6F36N12 — CID 139132391

IUPACbenzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccccc1
InChIInChI=1S/6C11H5F6N2.C6H6.6Cu/c6*12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7;1-2-4-6-5-3-1;;;;;;/h6*1-5H;1-6H;;;;;;/q6*-1;;6*+1
InChIKeyOJXKJTYODACARU-UHFFFAOYSA-N
MW2134.37 g/mol
LogP24.13
Rot. Bonds6

About benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))

benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+)) (PubChem CID 139132391) has the molecular formula C72H36Cu6F36N12 and a molecular weight of 2134.37 g/mol. Its IUPAC name is benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+)).

Molecular Properties

Compound Namebenzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
PubChem CID139132391
Molecular FormulaC72H36Cu6F36N12
Molecular Weight2134.37 g/mol
Exact Mass2129.84
IUPAC Namebenzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
SMILESFC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccccc1
InChIInChI=1S/6C11H5F6N2.C6H6.6Cu/c6*12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7;1-2-4-6-5-3-1;;;;;;/h6*1-5H;1-6H;;;;;;/q6*-1;;6*+1
InChIKeyOJXKJTYODACARU-UHFFFAOYSA-N
XLogP24.13
TPSA161.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002134.37
LogP ≤ 524.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
[Ir(dF[CF3]ppy)2(dtbbpy)]PF6
CID 60160592
Manganese(2+);tris(2-pyridin-2-ylpyridine);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139098886
Trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine)
CID 139146332
Gross107 (Sudhakar)
CID 139174614

Frequently Asked Questions

What is the IUPAC name of benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))?
The IUPAC name of benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+)) (CID 139132391) is benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+)).
What is the SMILES notation for benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))?
The canonical SMILES for benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+)) is FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.FC(F)(F)c1cc(C(F)(F)F)c(-c2ccccn2)[n-]1.[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].[Cu+].c1ccccc1.
What is the InChIKey of benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))?
The InChIKey is OJXKJTYODACARU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C11H5F6N2.C6H6.6Cu/c6*12-10(13,14)6-5-8(11(15,16)17)19-9(6)7-3-1-2-4-18-7;1-2-4-6-5-3-1;;;;;;/h6*1-5H;1-6H;;;;;;/q6*-1;;6*+1.
What are the key properties of benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))?
benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+)) has a molecular weight of 2134.37 g/mol, XLogP of 24.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+)) is sourced from PubChem (CID 139132391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).