bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium)

C40H32Cd2N8O12V4-20 — CID 139066852

IUPACbis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium)
SMILES[Cd+2].[Cd+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/4C10H8N2.2Cd.12O.4V/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;;;;;;;;;;/h4*1-8H;;;;;;;;;;;;;;;;;;/q;;;;2*+2;12*-2;;;;
InChIKeyLJEQHWBCKMOTJO-UHFFFAOYSA-N
MW1245.34 g/mol
LogP7.13
Rot. Bonds4

About bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium)

bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium) (PubChem CID 139066852) has the molecular formula C40H32Cd2N8O12V4-20 and a molecular weight of 1245.34 g/mol. Its IUPAC name is bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium).

Molecular Properties

Compound Namebis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium)
PubChem CID139066852
Molecular FormulaC40H32Cd2N8O12V4-20
Molecular Weight1245.34 g/mol
Exact Mass1247.81
IUPAC Namebis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium)
SMILES[Cd+2].[Cd+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/4C10H8N2.2Cd.12O.4V/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;;;;;;;;;;/h4*1-8H;;;;;;;;;;;;;;;;;;/q;;;;2*+2;12*-2;;;;
InChIKeyLJEQHWBCKMOTJO-UHFFFAOYSA-N
XLogP7.13
TPSA445.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.34
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
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
tris-(2,2'-bipyridine)cobalt(III)tri(bis(trifluoromethane)sulfonimide)
CID 168434989
tris-(2,2'-bipyridine)cobalt(II)di(bis(trifluoromethane)sulfonimide)
CID 170898766

Frequently Asked Questions

What is the IUPAC name of bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium)?
The IUPAC name of bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium) (CID 139066852) is bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium).
What is the SMILES notation for bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium)?
The canonical SMILES for bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium) is [Cd+2].[Cd+2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium)?
The InChIKey is LJEQHWBCKMOTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H8N2.2Cd.12O.4V/c4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;;;;;;;;;;/h4*1-8H;;;;;;;;;;;;;;;;;;/q;;;;2*+2;12*-2;;;;.
What are the key properties of bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium)?
bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium) has a molecular weight of 1245.34 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cadmium(2+));dodecakis(oxygen(2-));tetrakis(2-pyridin-2-ylpyridine);tetrakis(vanadium) is sourced from PubChem (CID 139066852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).