trisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine)

C42H30Ag3N9 — CID 139163297

IUPACtrisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine)
SMILES[Ag+].[Ag+].[Ag+].c1ccc(-c2ccc(-c3ccccn3)[n-]2)nc1.c1ccc(-c2ccc(-c3ccccn3)[n-]2)nc1.c1ccc(-c2ccc(-c3ccccn3)[n-]2)nc1
InChIInChI=1S/3C14H10N3.3Ag/c3*1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12;;;/h3*1-10H;;;/q3*-1;3*+1
InChIKeyPFKIOPDUPCUBEN-UHFFFAOYSA-N
MW984.37 g/mol
LogP8.30
Rot. Bonds6

About trisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine)

trisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine) (PubChem CID 139163297) has the molecular formula C42H30Ag3N9 and a molecular weight of 984.37 g/mol. Its IUPAC name is trisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine).

Molecular Properties

Compound Nametrisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine)
PubChem CID139163297
Molecular FormulaC42H30Ag3N9
Molecular Weight984.37 g/mol
Exact Mass980.98
IUPAC Nametrisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine)
SMILES[Ag+].[Ag+].[Ag+].c1ccc(-c2ccc(-c3ccccn3)[n-]2)nc1.c1ccc(-c2ccc(-c3ccccn3)[n-]2)nc1.c1ccc(-c2ccc(-c3ccccn3)[n-]2)nc1
InChIInChI=1S/3C14H10N3.3Ag/c3*1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12;;;/h3*1-10H;;;/q3*-1;3*+1
InChIKeyPFKIOPDUPCUBEN-UHFFFAOYSA-N
XLogP8.30
TPSA119.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.37
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of trisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine)?
The IUPAC name of trisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine) (CID 139163297) is trisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine).
What is the SMILES notation for trisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine)?
The canonical SMILES for trisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine) is [Ag+].[Ag+].[Ag+].c1ccc(-c2ccc(-c3ccccn3)[n-]2)nc1.c1ccc(-c2ccc(-c3ccccn3)[n-]2)nc1.c1ccc(-c2ccc(-c3ccccn3)[n-]2)nc1.
What is the InChIKey of trisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine)?
The InChIKey is PFKIOPDUPCUBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H10N3.3Ag/c3*1-3-9-15-11(5-1)13-7-8-14(17-13)12-6-2-4-10-16-12;;;/h3*1-10H;;;/q3*-1;3*+1.
What are the key properties of trisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine)?
trisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine) has a molecular weight of 984.37 g/mol, XLogP of 8.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trisilver;tris(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine) is sourced from PubChem (CID 139163297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).