dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane)

C50H74N6O4Si2Zn2 — CID 139082832

About dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane)

dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane) (PubChem CID 139082832) has the molecular formula C50H74N6O4Si2Zn2 and a molecular weight of 1010.13 g/mol. Its IUPAC name is dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane).

Molecular Properties

• Compound Name: dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane)
• PubChem CID: 139082832
• Molecular Formula: C50H74N6O4Si2Zn2
• Molecular Weight: 1010.13 g/mol
• Exact Mass: 1006.39
• IUPAC Name: dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane)
• SMILES: CCC(C)(C)c1cc(-n2nc3ccccc3n2)c([O-])c(C(C)(C)CC)c1.CCC(C)(C)c1cc(-n2nc3ccccc3n2)c([O-])c(C(C)(C)CC)c1.C[Si](C)(C)[O-].C[Si](C)(C)[O-].[Zn+2].[Zn+2]
• InChI: InChI=1S/2C22H29N3O.2C3H9OSi.2Zn/c2*1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25;2*1-5(2,3)4;;/h2*9-14,26H,7-8H2,1-6H3;2*1-3H3;;/q;;2*-1;2*+2/p-2
• InChIKey: HPBQLDGIUKNEQI-UHFFFAOYSA-L
• XLogP: 10.10
• TPSA: 153.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1010.13
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane)?

The IUPAC name of dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane) (CID 139082832) is dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane).

What is the SMILES notation for dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane)?

The canonical SMILES for dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane) is CCC(C)(C)c1cc(-n2nc3ccccc3n2)c([O-])c(C(C)(C)CC)c1.CCC(C)(C)c1cc(-n2nc3ccccc3n2)c([O-])c(C(C)(C)CC)c1.C[Si](C)(C)[O-].C[Si](C)(C)[O-].[Zn+2].[Zn+2].

What is the InChIKey of dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane)?

The InChIKey is HPBQLDGIUKNEQI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H29N3O.2C3H9OSi.2Zn/c2*1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25;2*1-5(2,3)4;;/h2*9-14,26H,7-8H2,1-6H3;2*1-3H3;;/q;;2*-1;2*+2/p-2.

What are the key properties of dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane)?

dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane) has a molecular weight of 1010.13 g/mol, XLogP of 10.10, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for dizinc;bis(2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate);bis(trimethyl(oxido)silane) is sourced from PubChem (CID 139082832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).