copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline

C115H116Cu2N8O12 — CID 58954179

IUPACcopper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline
SMILESCc1ccc(OCCOCCOCCCCOCCCOCCOc2ccc(-c3ccc4ccc5ccc(C)nc5c4n3)cc2)cc1.Cc1ccc(OCCOCCOCCCCOCCOCCOc2ccc(-c3ccc4ccc5cc(-c6cccc(C)c6)cnc5c4n3)cc2)cc1.Cc1ccc2ccc3ccc(-c4cccc(-c5ccc6ccc7ccc(C)nc7c6n5)c4)nc3c2n1.[Cu].[Cu]
InChIInChI=1S/C44H48N2O6.C39H46N2O6.C32H22N4.2Cu/c1-33-8-15-40(16-9-33)51-28-26-49-24-22-47-20-3-4-21-48-23-25-50-27-29-52-41-17-12-35(13-18-41)42-19-14-36-10-11-38-31-39(32-45-43(38)44(36)46-42)37-7-5-6-34(2)30-37;1-30-6-15-35(16-7-30)46-29-27-45-25-24-43-21-4-3-20-42-22-5-23-44-26-28-47-36-17-12-32(13-18-36)37-19-14-34-11-10-33-9-8-31(2)40-38(33)39(34)41-37;1-19-6-8-21-10-12-23-14-16-27(35-31(23)29(21)33-19)25-4-3-5-26(18-25)28-17-15-24-13-11-22-9-7-20(2)34-30(22)32(24)36-28;;/h5-19,30-32H,3-4,20-29H2,1-2H3;6-19H,3-5,20-29H2,1-2H3;3-18H,1-2H3;;
InChIKeyBAMWRLLFRLHGFS-UHFFFAOYSA-N
MW1929.33 g/mol
LogP24.62
Rot. Bonds44

About copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline

copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline (PubChem CID 58954179) has the molecular formula C115H116Cu2N8O12 and a molecular weight of 1929.33 g/mol. Its IUPAC name is copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Namecopper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline
PubChem CID58954179
Molecular FormulaC115H116Cu2N8O12
Molecular Weight1929.33 g/mol
Exact Mass1926.73
IUPAC Namecopper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline
SMILESCc1ccc(OCCOCCOCCCCOCCCOCCOc2ccc(-c3ccc4ccc5ccc(C)nc5c4n3)cc2)cc1.Cc1ccc(OCCOCCOCCCCOCCOCCOc2ccc(-c3ccc4ccc5cc(-c6cccc(C)c6)cnc5c4n3)cc2)cc1.Cc1ccc2ccc3ccc(-c4cccc(-c5ccc6ccc7ccc(C)nc7c6n5)c4)nc3c2n1.[Cu].[Cu]
InChIInChI=1S/C44H48N2O6.C39H46N2O6.C32H22N4.2Cu/c1-33-8-15-40(16-9-33)51-28-26-49-24-22-47-20-3-4-21-48-23-25-50-27-29-52-41-17-12-35(13-18-41)42-19-14-36-10-11-38-31-39(32-45-43(38)44(36)46-42)37-7-5-6-34(2)30-37;1-30-6-15-35(16-7-30)46-29-27-45-25-24-43-21-4-3-20-42-22-5-23-44-26-28-47-36-17-12-32(13-18-36)37-19-14-34-11-10-33-9-8-31(2)40-38(33)39(34)41-37;1-19-6-8-21-10-12-23-14-16-27(35-31(23)29(21)33-19)25-4-3-5-26(18-25)28-17-15-24-13-11-22-9-7-20(2)34-30(22)32(24)36-28;;/h5-19,30-32H,3-4,20-29H2,1-2H3;6-19H,3-5,20-29H2,1-2H3;3-18H,1-2H3;;
InChIKeyBAMWRLLFRLHGFS-UHFFFAOYSA-N
XLogP24.62
TPSA213.88 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds44
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001929.33
LogP ≤ 524.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline with MolForge

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Related Compounds

N,N-dimethyl-3-[4-(1,10-phenanthrolin-4-yl)butoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5289251
Bis(2,9-bis(p-methoxyphenyl)-1,10-phenanthroline)copper(1+) chloride
CID 117065415
(T-4)-Copper(1+), bis[2,9-bis(4-methoxyphenyl)-1,10-phenanthroline-kappaN1,kappaN10]-, chloride
CID 138108253
bis(4,7-diphenyl-1,10-phenanthroline);(2E)-2-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-2-[6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-ylidene]acetonitrile;ruthenium
CID 172280611
N,N-dimethyl-3-[5-(1,10-phenanthrolin-4-yl)pentoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058672
N,N-dimethyl-3-[6-(1,10-phenanthrolin-4-yl)hexoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058674
N,N-dimethyl-3-[7-(1,10-phenanthrolin-4-yl)heptoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058676
N,N-dimethyl-3-[9-(1,10-phenanthrolin-4-yl)nonoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058678
N,N-dimethyl-3-[11-(1,10-phenanthrolin-4-yl)undecoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058680
CID 139038314
CID 139038314
Bis(mu-2-phenoxypropionato-kappa^2^O:O')bis[(1,10-phenanthroline-kappa^2^N,N')bis(2-phenoxypropionato-kappa^2^O,O')samarium(III)]
CID 139081924
Bis(mu~2~-2-phenoxypropionato-kappa^2^O:O')bis[(1,10-phenanthroline-kappa^2^N,N')bis(2-phenoxypropionato-kappa^2^O,O')ytterbium(III)]
CID 139082164

Frequently Asked Questions

What is the IUPAC name of copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline?
The IUPAC name of copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline (CID 58954179) is copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline.
What is the SMILES notation for copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline?
The canonical SMILES for copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline is Cc1ccc(OCCOCCOCCCCOCCCOCCOc2ccc(-c3ccc4ccc5ccc(C)nc5c4n3)cc2)cc1.Cc1ccc(OCCOCCOCCCCOCCOCCOc2ccc(-c3ccc4ccc5cc(-c6cccc(C)c6)cnc5c4n3)cc2)cc1.Cc1ccc2ccc3ccc(-c4cccc(-c5ccc6ccc7ccc(C)nc7c6n5)c4)nc3c2n1.[Cu].[Cu].
What is the InChIKey of copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline?
The InChIKey is BAMWRLLFRLHGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48N2O6.C39H46N2O6.C32H22N4.2Cu/c1-33-8-15-40(16-9-33)51-28-26-49-24-22-47-20-3-4-21-48-23-25-50-27-29-52-41-17-12-35(13-18-41)42-19-14-36-10-11-38-31-39(32-45-43(38)44(36)46-42)37-7-5-6-34(2)30-37;1-30-6-15-35(16-7-30)46-29-27-45-25-24-43-21-4-3-20-42-22-5-23-44-26-28-47-36-17-12-32(13-18-36)37-19-14-34-11-10-33-9-8-31(2)40-38(33)39(34)41-37;1-19-6-8-21-10-12-23-14-16-27(35-31(23)29(21)33-19)25-4-3-5-26(18-25)28-17-15-24-13-11-22-9-7-20(2)34-30(22)32(24)36-28;;/h5-19,30-32H,3-4,20-29H2,1-2H3;6-19H,3-5,20-29H2,1-2H3;3-18H,1-2H3;;.
What are the key properties of copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline?
copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline has a molecular weight of 1929.33 g/mol, XLogP of 24.62, 44 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline;2-[4-[2-[2-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]ethoxy]ethoxy]phenyl]-8-(3-methylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 58954179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).