trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine)

C39H21Ag3F18N6 — CID 139146332

IUPACtrisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine)
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.[Ag+].[Ag+].[Ag+].c1ccccc1
InChIInChI=1S/3C11H5F6N2.C6H6.3Ag/c3*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;;;/h3*1-5H;1-6H;;;/q3*-1;;3*+1
InChIKeyGGSRVGQDZPQUPM-UHFFFAOYSA-N
MW1239.21 g/mol
LogP12.91
Rot. Bonds3

About trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine)

trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine) (PubChem CID 139146332) has the molecular formula C39H21Ag3F18N6 and a molecular weight of 1239.21 g/mol. Its IUPAC name is trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine).

Molecular Properties

Compound Nametrisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine)
PubChem CID139146332
Molecular FormulaC39H21Ag3F18N6
Molecular Weight1239.21 g/mol
Exact Mass1235.87
IUPAC Nametrisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine)
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.[Ag+].[Ag+].[Ag+].c1ccccc1
InChIInChI=1S/3C11H5F6N2.C6H6.3Ag/c3*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;;;/h3*1-5H;1-6H;;;/q3*-1;;3*+1
InChIKeyGGSRVGQDZPQUPM-UHFFFAOYSA-N
XLogP12.91
TPSA80.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.21
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
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
Benzene;hexakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);hexakis(copper(1+))
CID 139132391
Bis(acetonitrile);2,6-dipyridin-2-ylpyridine;ruthenium(2+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;dihexafluorophosphate
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Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;1,10-phenanthroline
CID 176431482
Tris(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);ruthenium
CID 170518310
iridium(3+);tris(2-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-5-(trifluoromethyl)pyridine)
CID 60122423
2-(3-Butyl-2-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3-butyl-4-fluorobenzene-6-id-1-yl)-6-methylpyridine;2-(3-butyl-2-methylbenzene-6-id-1-yl)-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]-5-methylpyridine;2-[3-butyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;hexakis(iridium)
CID 157325843
2-(4-Fluorobenzene-6-id-1-yl)-4-(trifluoromethyl)pyridine;tetrakis(iridium);bis(1-phenylisoquinoline);3-phenylisoquinoline;tris(2-phenylpyridine)
CID 157332478

Frequently Asked Questions

What is the IUPAC name of trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine)?
The IUPAC name of trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine) (CID 139146332) is trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine).
What is the SMILES notation for trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine)?
The canonical SMILES for trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine) 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.[Ag+].[Ag+].[Ag+].c1ccccc1.
What is the InChIKey of trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine)?
The InChIKey is GGSRVGQDZPQUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H5F6N2.C6H6.3Ag/c3*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;;;/h3*1-5H;1-6H;;;/q3*-1;;3*+1.
What are the key properties of trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine)?
trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine) has a molecular weight of 1239.21 g/mol, XLogP of 12.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trisilver;benzene;tris(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine) is sourced from PubChem (CID 139146332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).