bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone)

C48H72Cl24Co2Nb2Ni2O36Sn6 — CID 162299776

IUPACbis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone)
SMILESCl[Co]Cl.Cl[Co]Cl.Cl[Nb]Cl.Cl[Nb]Cl.Cl[Ni]Cl.Cl[Ni]Cl.Cl[Sn]Cl.Cl[Sn]Cl.Cl[Sn]Cl.Cl[Sn]Cl.Cl[Sn]Cl.Cl[Sn]Cl.O=C1OCCOCCOCCOC(=O)C(=O)OCCOCCOCCOC1=O.O=C1OCCOCCOCCOC(=O)C(=O)OCCOCCOCCOC1=O.O=C1OCCOCCOCCOC(=O)C(=O)OCCOCCOCCOC1=O
InChIInChI=1S/3C16H24O12.24ClH.2Co.2Nb.2Ni.6Sn/c3*17-13-14(18)27-11-7-23-3-4-24-8-12-28-16(20)15(19)26-10-6-22-2-1-21-5-9-25-13;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1-12H2;24*1H;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;12*+2/p-24
InChIKeyIHQFKBCQQLAREZ-UHFFFAOYSA-A
MW3209.27 g/mol
LogP8.97
Rot. Bonds

About bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone)

bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone) (PubChem CID 162299776) has the molecular formula C48H72Cl24Co2Nb2Ni2O36Sn6 and a molecular weight of 3209.27 g/mol. Its IUPAC name is bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone).

Molecular Properties

Compound Namebis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone)
PubChem CID162299776
Molecular FormulaC48H72Cl24Co2Nb2Ni2O36Sn6
Molecular Weight3209.27 g/mol
Exact Mass3202.60
IUPAC Namebis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone)
SMILESCl[Co]Cl.Cl[Co]Cl.Cl[Nb]Cl.Cl[Nb]Cl.Cl[Ni]Cl.Cl[Ni]Cl.Cl[Sn]Cl.Cl[Sn]Cl.Cl[Sn]Cl.Cl[Sn]Cl.Cl[Sn]Cl.Cl[Sn]Cl.O=C1OCCOCCOCCOC(=O)C(=O)OCCOCCOCCOC1=O.O=C1OCCOCCOCCOC(=O)C(=O)OCCOCCOCCOC1=O.O=C1OCCOCCOCCOC(=O)C(=O)OCCOCCOCCOC1=O
InChIInChI=1S/3C16H24O12.24ClH.2Co.2Nb.2Ni.6Sn/c3*17-13-14(18)27-11-7-23-3-4-24-8-12-28-16(20)15(19)26-10-6-22-2-1-21-5-9-25-13;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1-12H2;24*1H;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;12*+2/p-24
InChIKeyIHQFKBCQQLAREZ-UHFFFAOYSA-A
XLogP8.97
TPSA426.36 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003209.27
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone)?
The IUPAC name of bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone) (CID 162299776) is bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone).
What is the SMILES notation for bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone)?
The canonical SMILES for bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone) is Cl[Co]Cl.Cl[Co]Cl.Cl[Nb]Cl.Cl[Nb]Cl.Cl[Ni]Cl.Cl[Ni]Cl.Cl[Sn]Cl.Cl[Sn]Cl.Cl[Sn]Cl.Cl[Sn]Cl.Cl[Sn]Cl.Cl[Sn]Cl.O=C1OCCOCCOCCOC(=O)C(=O)OCCOCCOCCOC1=O.O=C1OCCOCCOCCOC(=O)C(=O)OCCOCCOCCOC1=O.O=C1OCCOCCOCCOC(=O)C(=O)OCCOCCOCCOC1=O.
What is the InChIKey of bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone)?
The InChIKey is IHQFKBCQQLAREZ-UHFFFAOYSA-A. The full InChI is InChI=1S/3C16H24O12.24ClH.2Co.2Nb.2Ni.6Sn/c3*17-13-14(18)27-11-7-23-3-4-24-8-12-28-16(20)15(19)26-10-6-22-2-1-21-5-9-25-13;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3*1-12H2;24*1H;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;12*+2/p-24.
What are the key properties of bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone)?
bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone) has a molecular weight of 3209.27 g/mol, XLogP of 8.97, 0 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichlorocobalt);bis(dichloronickel);bis(dichloroniobium);hexakis(dichlorotin);tris(1,4,7,10,13,16,19,22-octaoxacyclotetracosane-2,3,14,15-tetrone) is sourced from PubChem (CID 162299776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).