dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine)

C80H68Cu2N12O8S8 — CID 139160284

IUPACdicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine)

SMILESCc1cc2[n-]/c(=N/S(=O)(=O)c3ccccc3)sc2cc1C.Cc1cc2[n-]/c(=N/S(=O)(=O)c3ccccc3)sc2cc1C.Cc1cc2nc([N-]S(=O)(=O)c3ccccc3)sc2cc1C.Cc1cc2nc([N-]S(=O)(=O)c3ccccc3)sc2cc1C.[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

InChIInChI=1S/4C15H13N2O2S2.2C10H8N2.2Cu/c4*1-10-8-13-14(9-11(10)2)20-15(16-13)17-21(18,19)12-6-4-3-5-7-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h4*3-9H,1-2H3;2*1-8H;;/q4*-1;;;2*+2

InChIKeyUKGRIIAESUJRDZ-UHFFFAOYSA-N

MW1709.13 g/mol

LogP18.43

Rot. Bonds12

About dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine)

dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine) (PubChem CID 139160284) has the molecular formula C80H68Cu2N12O8S8 and a molecular weight of 1709.13 g/mol. Its IUPAC name is dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Name	dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine)
PubChem CID	139160284
Molecular Formula	C80H68Cu2N12O8S8
Molecular Weight	1709.13 g/mol
Exact Mass	1706.16
IUPAC Name	dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine)
SMILES	Cc1cc2[n-]/c(=N/S(=O)(=O)c3ccccc3)sc2cc1C.Cc1cc2[n-]/c(=N/S(=O)(=O)c3ccccc3)sc2cc1C.Cc1cc2nc([N-]S(=O)(=O)c3ccccc3)sc2cc1C.Cc1cc2nc([N-]S(=O)(=O)c3ccccc3)sc2cc1C.[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChI	InChI=1S/4C15H13N2O2S2.2C10H8N2.2Cu/c41-10-8-13-14(9-11(10)2)20-15(16-13)17-21(18,19)12-6-4-3-5-7-12;21-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h43-9H,1-2H3;21-8H;;/q4-1;;;2+2
InChIKey	UKGRIIAESUJRDZ-UHFFFAOYSA-N
XLogP	18.43
TPSA	295.02 Å²
H-Bond Donors
H-Bond Acceptors	18
Rotatable Bonds	12
Heavy Atoms	110
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1709.13
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Related Compounds

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine)?

The IUPAC name of dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine) (CID 139160284) is dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine).

What is the SMILES notation for dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine)?

The canonical SMILES for dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine) is Cc1cc2[n-]/c(=N/S(=O)(=O)c3ccccc3)sc2cc1C.Cc1cc2[n-]/c(=N/S(=O)(=O)c3ccccc3)sc2cc1C.Cc1cc2nc([N-]S(=O)(=O)c3ccccc3)sc2cc1C.Cc1cc2nc([N-]S(=O)(=O)c3ccccc3)sc2cc1C.[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine)?

The InChIKey is UKGRIIAESUJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H13N2O2S2.2C10H8N2.2Cu/c4*1-10-8-13-14(9-11(10)2)20-15(16-13)17-21(18,19)12-6-4-3-5-7-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h4*3-9H,1-2H3;2*1-8H;;/q4*-1;;;2*+2.

What are the key properties of dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine)?

dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine) has a molecular weight of 1709.13 g/mol, XLogP of 18.43, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for dicopper;bis(benzenesulfonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)azanide);bis((NZ)-N-(5,6-dimethyl-1,3-benzothiazol-3-id-2-ylidene)benzenesulfonamide);bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139160284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).