gallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide

C38H36GaI3N10 — CID 139175042

IUPACgallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide
SMILESCC#N.CC#N.CC#N.CC#N.[Ga+3].[I-].[I-].[I-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.4C2H3N.Ga.3HI/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2-3;;;;/h3*1-8H;4*1H3;;3*1H/q;;;;;;;+3;;;/p-3
InChIKeyRZULGRBVIYYTKZ-UHFFFAOYSA-K
MW1083.21 g/mol
LogP-0.82
Rot. Bonds3

About gallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide

gallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide (PubChem CID 139175042) has the molecular formula C38H36GaI3N10 and a molecular weight of 1083.21 g/mol. Its IUPAC name is gallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide.

Molecular Properties

Compound Namegallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide
PubChem CID139175042
Molecular FormulaC38H36GaI3N10
Molecular Weight1083.21 g/mol
Exact Mass1081.95
IUPAC Namegallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide
SMILESCC#N.CC#N.CC#N.CC#N.[Ga+3].[I-].[I-].[I-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.4C2H3N.Ga.3HI/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2-3;;;;/h3*1-8H;4*1H3;;3*1H/q;;;;;;;+3;;;/p-3
InChIKeyRZULGRBVIYYTKZ-UHFFFAOYSA-K
XLogP-0.82
TPSA172.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001083.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Iron, tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-
CID 3032636
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridyl)-Fe(II) complex
CID 193497
2,2':6',2''-Terpyridine, 6,6'''-(1,6-hexanediyl)bis-
CID 3044372
2,2':6',2''-Terpyridine, 6,6'''-(1,7-heptanediyl)bis-
CID 3044374
2,2':6',2''-Terpyridine, 6,6'''-(3-hexene-1,6-diyl)bis-
CID 6446331
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
Iridium;tris(2-phenylpyridine)
CID 23386734
Tris(2,2'-bipyridine)ruthenium(2+)
CID 65240
tris(2,2'-bipyridyl)chromium(II)
CID 3082120
Tris(2,2'-bipyridine)osmium(II)
CID 3082218

Frequently Asked Questions

What is the IUPAC name of gallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide?
The IUPAC name of gallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide (CID 139175042) is gallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide.
What is the SMILES notation for gallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide?
The canonical SMILES for gallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide is CC#N.CC#N.CC#N.CC#N.[Ga+3].[I-].[I-].[I-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of gallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide?
The InChIKey is RZULGRBVIYYTKZ-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H8N2.4C2H3N.Ga.3HI/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2-3;;;;/h3*1-8H;4*1H3;;3*1H/q;;;;;;;+3;;;/p-3.
What are the key properties of gallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide?
gallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide has a molecular weight of 1083.21 g/mol, XLogP of -0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for gallium;tetrakis(acetonitrile);tris(2-pyridin-2-ylpyridine);triiodide is sourced from PubChem (CID 139175042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).