copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline

C46H28Br4CuN4O2 — CID 139073230

IUPACcopper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline
SMILES[Cu+2].[O-]c1c(Br)cc(Br)cc1/C=N/c1cccc2ccccc12.[O-]c1c(Br)cc(Br)cc1/C=N\c1cccc2ccccc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C17H11Br2NO.C12H8N2.Cu/c2*18-13-8-12(17(21)15(19)9-13)10-20-16-7-3-5-11-4-1-2-6-14(11)16;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-10,21H;1-8H;/q;;;+2/p-2/b20-10+;20-10-;;
InChIKeyOLTILDOSJKUUMT-ZHFNWQJHSA-L
MW1051.92 g/mol
LogP13.16
Rot. Bonds4

About copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline

copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline (PubChem CID 139073230) has the molecular formula C46H28Br4CuN4O2 and a molecular weight of 1051.92 g/mol. Its IUPAC name is copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline.

Molecular Properties

Compound Namecopper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline
PubChem CID139073230
Molecular FormulaC46H28Br4CuN4O2
Molecular Weight1051.92 g/mol
Exact Mass1046.82
IUPAC Namecopper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline
SMILES[Cu+2].[O-]c1c(Br)cc(Br)cc1/C=N/c1cccc2ccccc12.[O-]c1c(Br)cc(Br)cc1/C=N\c1cccc2ccccc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C17H11Br2NO.C12H8N2.Cu/c2*18-13-8-12(17(21)15(19)9-13)10-20-16-7-3-5-11-4-1-2-6-14(11)16;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-10,21H;1-8H;/q;;;+2/p-2/b20-10+;20-10-;;
InChIKeyOLTILDOSJKUUMT-ZHFNWQJHSA-L
XLogP13.16
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001051.92
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(quinolin-8-yliminomethyl)phenol
CID 137082979
N-(2,4-dibromophenyl)-1-naphthalen-1-ylmethanimine
CID 21210393
4-chloro-2-nitro-6-(quinolin-8-yliminomethyl)phenolate
CID 7034126
4,10,13,19,23,29,32,38-octazanonacyclo[20.16.0.03,20.05,18.06,11.012,17.024,37.025,30.031,36]octatriaconta-1(22),2,4,6(11),7,9,12(17),13,15,18,20,23,25(30),26,28,31(36),32,34,37-nonadecaene;tetrakis(1,10-phenanthroline);bis(ruthenium(2+));tetrachloride
CID 71762373
4-bromo-2-(quinolin-8-yliminomethyl)phenolate;4-chloro-2-(quinolin-8-yliminomethyl)phenolate;iron(3+);methanol;isothiocyanate
CID 139178147
2,4-dibromo-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3093103
1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126223338
4-nitro-2-(quinolin-8-yliminomethyl)phenolate
CID 2223529
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium
CID 162460175
2-(quinolin-8-yliminomethyl)benzene-1,4-diol
CID 136851567
4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol
CID 171981027

Frequently Asked Questions

What is the IUPAC name of copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline?
The IUPAC name of copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline (CID 139073230) is copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline.
What is the SMILES notation for copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline?
The canonical SMILES for copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline is [Cu+2].[O-]c1c(Br)cc(Br)cc1/C=N/c1cccc2ccccc12.[O-]c1c(Br)cc(Br)cc1/C=N\c1cccc2ccccc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline?
The InChIKey is OLTILDOSJKUUMT-ZHFNWQJHSA-L. The full InChI is InChI=1S/2C17H11Br2NO.C12H8N2.Cu/c2*18-13-8-12(17(21)15(19)9-13)10-20-16-7-3-5-11-4-1-2-6-14(11)16;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h2*1-10,21H;1-8H;/q;;;+2/p-2/b20-10+;20-10-;;.
What are the key properties of copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline?
copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline has a molecular weight of 1051.92 g/mol, XLogP of 13.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2,4-dibromo-6-(naphthalen-1-yliminomethyl)phenolate);1,10-phenanthroline is sourced from PubChem (CID 139073230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).