copper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline

C106H110Cu2N8O14 — CID 58954239

IUPACcopper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline
SMILESCc1ccc(OCCOCCOCCOCCOCCOCCOc2ccc(-c3ccc4ccc5ccc(CCCCc6ccc7ccc8ccc(-c9ccc(OCCOCCOCCOCCOCCOCCOc%10ccc(-c%11ccc%12ccc%13ccc(CCCCc%14ccc%15ccc%16ccc(C)nc%16c%15n%14)nc%13c%12n%11)cc%10)cc9)nc8c7n6)nc5c4n3)cc2)cc1.[Cu].[Cu]
InChIInChI=1S/C106H110N8O14.2Cu/c1-75-11-40-92(41-12-75)125-71-67-121-63-59-117-55-51-115-52-56-118-60-64-122-68-72-127-94-44-29-78(30-45-94)97-49-34-86-21-18-83-25-38-90(110-102(83)105(86)113-97)9-5-6-10-91-39-26-84-19-22-87-35-50-98(114-106(87)103(84)111-91)79-31-46-95(47-32-79)128-74-70-124-66-62-120-58-54-116-53-57-119-61-65-123-69-73-126-93-42-27-77(28-43-93)96-48-33-85-20-17-82-24-37-89(109-101(82)104(85)112-96)8-4-3-7-88-36-23-81-16-15-80-14-13-76(2)107-99(80)100(81)108-88;;/h11-50H,3-10,51-74H2,1-2H3;;
InChIKeyMJHHJXSJCKPGSG-UHFFFAOYSA-N
MW1847.18 g/mol
LogP19.90
Rot. Bonds53

About copper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline

copper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline (PubChem CID 58954239) has the molecular formula C106H110Cu2N8O14 and a molecular weight of 1847.18 g/mol. Its IUPAC name is copper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline.

Molecular Properties

Compound Namecopper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline
PubChem CID58954239
Molecular FormulaC106H110Cu2N8O14
Molecular Weight1847.18 g/mol
Exact Mass1844.67
IUPAC Namecopper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline
SMILESCc1ccc(OCCOCCOCCOCCOCCOCCOc2ccc(-c3ccc4ccc5ccc(CCCCc6ccc7ccc8ccc(-c9ccc(OCCOCCOCCOCCOCCOCCOc%10ccc(-c%11ccc%12ccc%13ccc(CCCCc%14ccc%15ccc%16ccc(C)nc%16c%15n%14)nc%13c%12n%11)cc%10)cc9)nc8c7n6)nc5c4n3)cc2)cc1.[Cu].[Cu]
InChIInChI=1S/C106H110N8O14.2Cu/c1-75-11-40-92(41-12-75)125-71-67-121-63-59-117-55-51-115-52-56-118-60-64-122-68-72-127-94-44-29-78(30-45-94)97-49-34-86-21-18-83-25-38-90(110-102(83)105(86)113-97)9-5-6-10-91-39-26-84-19-22-87-35-50-98(114-106(87)103(84)111-91)79-31-46-95(47-32-79)128-74-70-124-66-62-120-58-54-116-53-57-119-61-65-123-69-73-126-93-42-27-77(28-43-93)96-48-33-85-20-17-82-24-37-89(109-101(82)104(85)112-96)8-4-3-7-88-36-23-81-16-15-80-14-13-76(2)107-99(80)100(81)108-88;;/h11-50H,3-10,51-74H2,1-2H3;;
InChIKeyMJHHJXSJCKPGSG-UHFFFAOYSA-N
XLogP19.90
TPSA232.34 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds53
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001847.18
LogP ≤ 519.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-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
CU(Dap)2 chloride
CID 60144211
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
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
2,9-Bis[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-1,10-phenanthroline
CID 102420715
meso-Tetrakis(4-pentyloxyphenyl)porphyrinato]silver(II)
CID 139072140
{meso-Tetrakis[p-(heptyloxy)phenyl]porphyrinato}silver(II)
CID 139081803

Frequently Asked Questions

What is the IUPAC name of copper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline?
The IUPAC name of copper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline (CID 58954239) is copper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline.
What is the SMILES notation for copper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline?
The canonical SMILES for copper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline is Cc1ccc(OCCOCCOCCOCCOCCOCCOc2ccc(-c3ccc4ccc5ccc(CCCCc6ccc7ccc8ccc(-c9ccc(OCCOCCOCCOCCOCCOCCOc%10ccc(-c%11ccc%12ccc%13ccc(CCCCc%14ccc%15ccc%16ccc(C)nc%16c%15n%14)nc%13c%12n%11)cc%10)cc9)nc8c7n6)nc5c4n3)cc2)cc1.[Cu].[Cu].
What is the InChIKey of copper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline?
The InChIKey is MJHHJXSJCKPGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H110N8O14.2Cu/c1-75-11-40-92(41-12-75)125-71-67-121-63-59-117-55-51-115-52-56-118-60-64-122-68-72-127-94-44-29-78(30-45-94)97-49-34-86-21-18-83-25-38-90(110-102(83)105(86)113-97)9-5-6-10-91-39-26-84-19-22-87-35-50-98(114-106(87)103(84)111-91)79-31-46-95(47-32-79)128-74-70-124-66-62-120-58-54-116-53-57-119-61-65-123-69-73-126-93-42-27-77(28-43-93)96-48-33-85-20-17-82-24-37-89(109-101(82)104(85)112-96)8-4-3-7-88-36-23-81-16-15-80-14-13-76(2)107-99(80)100(81)108-88;;/h11-50H,3-10,51-74H2,1-2H3;;.
What are the key properties of copper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline?
copper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline has a molecular weight of 1847.18 g/mol, XLogP of 19.90, 53 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-methyl-9-[4-[9-[4-[2-[2-[2-[2-[2-[2-[4-[9-[4-[9-[4-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-1,10-phenanthrolin-2-yl]butyl]-1,10-phenanthroline is sourced from PubChem (CID 58954239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).