chlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane)

C30H75Cl4Co4N12+7 — CID 6397568

IUPACchlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane)
SMILESC1CNCCNCCCNCCNC1.C1CNCCNCCCNCCNC1.C1CNCCNCCCNCCNC1.Cl[Co+].[ClH+][Co+].[ClH+][Co+].[ClH+][Co+]
InChIInChI=1S/3C10H24N4.4ClH.4Co/c3*1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;;;;;;;;/h3*11-14H,1-10H2;4*1H;;;;/q;;;;;;;4*+2/p-1
InChIKeyKQNILTOYAYCOPL-UHFFFAOYSA-M
MW981.56 g/mol
LogP-2.71
Rot. Bonds

About chlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane)

chlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane) (PubChem CID 6397568) has the molecular formula C30H75Cl4Co4N12+7 and a molecular weight of 981.56 g/mol. Its IUPAC name is chlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane).

Molecular Properties

Compound Namechlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane)
PubChem CID6397568
Molecular FormulaC30H75Cl4Co4N12+7
Molecular Weight981.56 g/mol
Exact Mass979.23
IUPAC Namechlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane)
SMILESC1CNCCNCCCNCCNC1.C1CNCCNCCCNCCNC1.C1CNCCNCCCNCCNC1.Cl[Co+].[ClH+][Co+].[ClH+][Co+].[ClH+][Co+]
InChIInChI=1S/3C10H24N4.4ClH.4Co/c3*1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;;;;;;;;/h3*11-14H,1-10H2;4*1H;;;;/q;;;;;;;4*+2/p-1
InChIKeyKQNILTOYAYCOPL-UHFFFAOYSA-M
XLogP-2.71
TPSA144.36 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500981.56
LogP ≤ 5-2.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

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Related Compounds

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1,4,7,10-tetrazacyclotridecane
CID 11478723
1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane
CID 159801771
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CID 67843404
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1,4-diazepane;dihydrochloride
CID 23441047
copper 1,4,8,11-tetrazacyclotetradecane
CID 11966228
1,5,9,13,17-pentazacycloicosane
CID 20533697
1,4,8,11-tetrazacyclotetradecane;trichlorocobalt
CID 67603333
ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride
CID 173279674
manganese(2+);bis(1,4,7,10,14-pentazacycloheptadecane);dichloride
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CID 22624324

Frequently Asked Questions

What is the IUPAC name of chlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane)?
The IUPAC name of chlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane) (CID 6397568) is chlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane).
What is the SMILES notation for chlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane)?
The canonical SMILES for chlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane) is C1CNCCNCCCNCCNC1.C1CNCCNCCCNCCNC1.C1CNCCNCCCNCCNC1.Cl[Co+].[ClH+][Co+].[ClH+][Co+].[ClH+][Co+].
What is the InChIKey of chlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane)?
The InChIKey is KQNILTOYAYCOPL-UHFFFAOYSA-M. The full InChI is InChI=1S/3C10H24N4.4ClH.4Co/c3*1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;;;;;;;;/h3*11-14H,1-10H2;4*1H;;;;/q;;;;;;;4*+2/p-1.
What are the key properties of chlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane)?
chlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane) has a molecular weight of 981.56 g/mol, XLogP of -2.71, 0 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocobalt(1+);tris(chloroniocobalt(1+));tris(1,4,8,11-tetrazacyclotetradecane) is sourced from PubChem (CID 6397568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).