tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide

C42H45I2N11O2U-6 — CID 139131473

IUPACtris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide
SMILESCC#N.CC#N.CC#N.[I-].[I-].[O-2].[O-2].[U].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/2C18H18N4.3C2H3N.2HI.2O.U/c2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;3*1-2-3;;;;;/h2*1-12H,13-15H2;3*1H3;2*1H;;;/q;;;;;;;2*-2;/p-2
InChIKeyHTDURBJINBBYMZ-UHFFFAOYSA-L
MW1227.73 g/mol
LogP1.51
Rot. Bonds12

About tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide

tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide (PubChem CID 139131473) has the molecular formula C42H45I2N11O2U-6 and a molecular weight of 1227.73 g/mol. Its IUPAC name is tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide.

Molecular Properties

Compound Nametris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide
PubChem CID139131473
Molecular FormulaC42H45I2N11O2U-6
Molecular Weight1227.73 g/mol
Exact Mass1227.24
IUPAC Nametris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide
SMILESCC#N.CC#N.CC#N.[I-].[I-].[O-2].[O-2].[U].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/2C18H18N4.3C2H3N.2HI.2O.U/c2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;3*1-2-3;;;;;/h2*1-12H,13-15H2;3*1H3;2*1H;;;/q;;;;;;;2*-2;/p-2
InChIKeyHTDURBJINBBYMZ-UHFFFAOYSA-L
XLogP1.51
TPSA212.19 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001227.73
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide with MolForge

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Related Compounds

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
[(S)-(pmpp)Mn(CF3SO3)2
CID 139040573
Hexakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tetrakis(rhodium);tetrakis(trifluoromethanesulfonate)
CID 139106827
Tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(rhodium(2+));tetrakis(trifluoromethanesulfonate)
CID 139106828
bis(europium(3+));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrakis(trifluoromethanesulfonate);dihydroxide
CID 139129491
Tris(acetonitrile);bis(erbium(3+));bis(1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane);hexakis(trifluoromethanesulfonate)
CID 139132379
Tris(acetonitrile);bis(terbium(3+));bis(1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane);hexakis(trifluoromethanesulfonate)
CID 139132380
(La(tpen)(Otf)3).CH3CN
CID 139152415

Frequently Asked Questions

What is the IUPAC name of tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide?
The IUPAC name of tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide (CID 139131473) is tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide.
What is the SMILES notation for tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide?
The canonical SMILES for tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide is CC#N.CC#N.CC#N.[I-].[I-].[O-2].[O-2].[U].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide?
The InChIKey is HTDURBJINBBYMZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H18N4.3C2H3N.2HI.2O.U/c2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;3*1-2-3;;;;;/h2*1-12H,13-15H2;3*1H3;2*1H;;;/q;;;;;;;2*-2;/p-2.
What are the key properties of tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide?
tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide has a molecular weight of 1227.73 g/mol, XLogP of 1.51, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide is sourced from PubChem (CID 139131473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).