bis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate

C28H33Cl2Co2N7O10 — CID 139153763

IUPACbis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate
SMILESCC#N.CC#N.Cc1cc2c([O-])c(c1)/C=N/CCNCC/N=C/c1cc(C)cc(c1[O-])/C=N/CC/N=C/2.[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H29N5O2.2C2H3N.2ClHO4.2Co/c1-17-9-19-13-26-5-3-25-4-6-27-14-20-10-18(2)12-22(24(20)31)16-29-8-7-28-15-21(11-17)23(19)30;2*1-2-3;2*2-1(3,4)5;;/h9-16,25,30-31H,3-8H2,1-2H3;2*1H3;2*(H,2,3,4,5);;/q;;;;;2*+2/p-4/b26-13+,27-14+,28-15+,29-16+;;;;;;
InChIKeyYHXPSOPCRXMZTJ-JXJUXUCXSA-J
MW816.38 g/mol
LogP-7.03
Rot. Bonds

About bis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate

bis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate (PubChem CID 139153763) has the molecular formula C28H33Cl2Co2N7O10 and a molecular weight of 816.38 g/mol. Its IUPAC name is bis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate.

Molecular Properties

Compound Namebis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate
PubChem CID139153763
Molecular FormulaC28H33Cl2Co2N7O10
Molecular Weight816.38 g/mol
Exact Mass815.03
IUPAC Namebis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate
SMILESCC#N.CC#N.Cc1cc2c([O-])c(c1)/C=N/CCNCC/N=C/c1cc(C)cc(c1[O-])/C=N/CC/N=C/2.[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H29N5O2.2C2H3N.2ClHO4.2Co/c1-17-9-19-13-26-5-3-25-4-6-27-14-20-10-18(2)12-22(24(20)31)16-29-8-7-28-15-21(11-17)23(19)30;2*1-2-3;2*2-1(3,4)5;;/h9-16,25,30-31H,3-8H2,1-2H3;2*1H3;2*(H,2,3,4,5);;/q;;;;;2*+2/p-4/b26-13+,27-14+,28-15+,29-16+;;;;;;
InChIKeyYHXPSOPCRXMZTJ-JXJUXUCXSA-J
XLogP-7.03
TPSA339.65 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.38
LogP ≤ 5-7.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze bis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate?
The IUPAC name of bis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate (CID 139153763) is bis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate.
What is the SMILES notation for bis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate?
The canonical SMILES for bis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate is CC#N.CC#N.Cc1cc2c([O-])c(c1)/C=N/CCNCC/N=C/c1cc(C)cc(c1[O-])/C=N/CC/N=C/2.[Co+2].[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate?
The InChIKey is YHXPSOPCRXMZTJ-JXJUXUCXSA-J. The full InChI is InChI=1S/C24H29N5O2.2C2H3N.2ClHO4.2Co/c1-17-9-19-13-26-5-3-25-4-6-27-14-20-10-18(2)12-22(24(20)31)16-29-8-7-28-15-21(11-17)23(19)30;2*1-2-3;2*2-1(3,4)5;;/h9-16,25,30-31H,3-8H2,1-2H3;2*1H3;2*(H,2,3,4,5);;/q;;;;;2*+2/p-4/b26-13+,27-14+,28-15+,29-16+;;;;;;.
What are the key properties of bis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate?
bis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate has a molecular weight of 816.38 g/mol, XLogP of -7.03, 0 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(cobalt(2+));10,24-dimethyl-3,6,14,17,20-pentazatricyclo[20.3.1.18,12]heptacosa-1(25),2,6,8,10,12(27),13,20,22(26),23-decaene-26,27-diolate;diperchlorate is sourced from PubChem (CID 139153763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).