dizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)

C50H34Br4N6O4Zn2 — CID 139072312

IUPACdizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)
SMILES[O-]c1ccc(Br)cc1/C=N/c1ccccc1/N=C/c1cc(Br)ccc1[O-].[O-]c1ccc(Br)cc1/C=N/c1ccccc1/N=C/c1cc(Br)ccc1[O-].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C20H14Br2N2O2.2C5H5N.2Zn/c2*21-15-5-7-19(25)13(9-15)11-23-17-3-1-2-4-18(17)24-12-14-10-16(22)6-8-20(14)26;2*1-2-4-6-5-3-1;;/h2*1-12,25-26H;2*1-5H;;/q;;;;2*+2/p-4/b2*23-11+,24-12+;;;;
InChIKeyTZMHTCMUTCXZDP-UJAOTKAPSA-J
MW1233.26 g/mol
LogP11.88
Rot. Bonds8

About dizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)

dizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine) (PubChem CID 139072312) has the molecular formula C50H34Br4N6O4Zn2 and a molecular weight of 1233.26 g/mol. Its IUPAC name is dizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine).

Molecular Properties

Compound Namedizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)
PubChem CID139072312
Molecular FormulaC50H34Br4N6O4Zn2
Molecular Weight1233.26 g/mol
Exact Mass1225.80
IUPAC Namedizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)
SMILES[O-]c1ccc(Br)cc1/C=N/c1ccccc1/N=C/c1cc(Br)ccc1[O-].[O-]c1ccc(Br)cc1/C=N/c1ccccc1/N=C/c1cc(Br)ccc1[O-].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C20H14Br2N2O2.2C5H5N.2Zn/c2*21-15-5-7-19(25)13(9-15)11-23-17-3-1-2-4-18(17)24-12-14-10-16(22)6-8-20(14)26;2*1-2-4-6-5-3-1;;/h2*1-12,25-26H;2*1-5H;;/q;;;;2*+2/p-4/b2*23-11+,24-12+;;;;
InChIKeyTZMHTCMUTCXZDP-UJAOTKAPSA-J
XLogP11.88
TPSA167.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001233.26
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Bis[4-Bromo-2-(pyridin-2-ylmethyliminomethyl)phenolato]manganese(III) nitrate
CID 139068050
[2,2'-{1,2-Phenylenebis(nitrilomethylylidyne)}diphenolato-kappa^4^O,N,N',O'](pyridine-kappaN)zinc(II)
CID 139072073
1385 MS4 [Co(salophen)(py)2]ClO4
CID 139076984
{N'-[(E)-(5-Bromo-2-oxidophenyl)(phenyl)methylene]benzohydrazidato}pyridinenickel(II)
CID 139077098
{N'-[(E)-(5-Bromo-2-oxidophenyl)(phenyl)methylene]benzohydrazidato}pyridinecopper(II)
CID 139077285
Bis(4-bromo-2-(quinolin-8-yliminomethyl)phenolate);iron(3+);methanol;nitrate
CID 139165382
tBu-Ni-tBu-Ni-Bip
CID 139168364
Bis(4-bromo-2-(quinolin-8-yliminomethyl)phenolate);bis(dichloromethane);iron(3+);tetraphenylboranuide
CID 139178148

Frequently Asked Questions

What is the IUPAC name of dizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)?
The IUPAC name of dizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine) (CID 139072312) is dizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine).
What is the SMILES notation for dizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)?
The canonical SMILES for dizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine) is [O-]c1ccc(Br)cc1/C=N/c1ccccc1/N=C/c1cc(Br)ccc1[O-].[O-]c1ccc(Br)cc1/C=N/c1ccccc1/N=C/c1cc(Br)ccc1[O-].[Zn+2].[Zn+2].c1ccncc1.c1ccncc1.
What is the InChIKey of dizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)?
The InChIKey is TZMHTCMUTCXZDP-UJAOTKAPSA-J. The full InChI is InChI=1S/2C20H14Br2N2O2.2C5H5N.2Zn/c2*21-15-5-7-19(25)13(9-15)11-23-17-3-1-2-4-18(17)24-12-14-10-16(22)6-8-20(14)26;2*1-2-4-6-5-3-1;;/h2*1-12,25-26H;2*1-5H;;/q;;;;2*+2/p-4/b2*23-11+,24-12+;;;;.
What are the key properties of dizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine)?
dizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine) has a molecular weight of 1233.26 g/mol, XLogP of 11.88, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;bis(4-bromo-2-[[2-[(5-bromo-2-oxidophenyl)methylideneamino]phenyl]iminomethyl]phenolate);bis(pyridine) is sourced from PubChem (CID 139072312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).