copper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate

C24H26ClCu2N4O6S — CID 139134234

IUPACcopper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate
SMILESCc1cc2c([O-])c(c1)/C=N/CCSCC/N=C/c1cc(C)cc(c1[O-])/C=N/CC/N=C/2.[Cu+2].[Cu+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H28N4O2S.ClHO4.2Cu/c1-17-9-19-13-25-3-4-26-14-20-10-18(2)12-22(24(20)30)16-28-6-8-31-7-5-27-15-21(11-17)23(19)29;2-1(3,4)5;;/h9-16,29-30H,3-8H2,1-2H3;(H,2,3,4,5);;/q;;+1;+2/p-3/b25-13+,26-14+,27-15+,28-16+;;;
InChIKeyKQRXQSCKJZTCPP-KFGMZHHSSA-K
MW661.11 g/mol
LogP-2.19
Rot. Bonds

About copper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate

copper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate (PubChem CID 139134234) has the molecular formula C24H26ClCu2N4O6S and a molecular weight of 661.11 g/mol. Its IUPAC name is copper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate.

Molecular Properties

Compound Namecopper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate
PubChem CID139134234
Molecular FormulaC24H26ClCu2N4O6S
Molecular Weight661.11 g/mol
Exact Mass658.99
IUPAC Namecopper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate
SMILESCc1cc2c([O-])c(c1)/C=N/CCSCC/N=C/c1cc(C)cc(c1[O-])/C=N/CC/N=C/2.[Cu+2].[Cu+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H28N4O2S.ClHO4.2Cu/c1-17-9-19-13-25-3-4-26-14-20-10-18(2)12-22(24(20)30)16-28-6-8-31-7-5-27-15-21(11-17)23(19)29;2-1(3,4)5;;/h9-16,29-30H,3-8H2,1-2H3;(H,2,3,4,5);;/q;;+1;+2/p-3/b25-13+,26-14+,27-15+,28-16+;;;
InChIKeyKQRXQSCKJZTCPP-KFGMZHHSSA-K
XLogP-2.19
TPSA187.80 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.11
LogP ≤ 5-2.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze copper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate?
The IUPAC name of copper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate (CID 139134234) is copper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate.
What is the SMILES notation for copper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate?
The canonical SMILES for copper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate is Cc1cc2c([O-])c(c1)/C=N/CCSCC/N=C/c1cc(C)cc(c1[O-])/C=N/CC/N=C/2.[Cu+2].[Cu+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of copper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate?
The InChIKey is KQRXQSCKJZTCPP-KFGMZHHSSA-K. The full InChI is InChI=1S/C24H28N4O2S.ClHO4.2Cu/c1-17-9-19-13-25-3-4-26-14-20-10-18(2)12-22(24(20)30)16-28-6-8-31-7-5-27-15-21(11-17)23(19)29;2-1(3,4)5;;/h9-16,29-30H,3-8H2,1-2H3;(H,2,3,4,5);;/q;;+1;+2/p-3/b25-13+,26-14+,27-15+,28-16+;;;.
What are the key properties of copper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate?
copper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate has a molecular weight of 661.11 g/mol, XLogP of -2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for copper;copper(1+);10,24-dimethyl-17-thia-3,6,14,20-tetrazatricyclo[20.3.1.18,12]heptacosa-1(26),2,6,8(27),9,11,13,20,22,24-decaene-26,27-diolate;perchlorate is sourced from PubChem (CID 139134234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).