2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline

C40H26N8O2 — CID 102598066

IUPAC2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OCCOc2ccccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C40H26N8O2/c1-3-15-29(23(9-1)39-45-35-25-11-5-17-41-31(25)32-26(36(35)46-39)12-6-18-42-32)49-21-22-50-30-16-4-2-10-24(30)40-47-37-27-13-7-19-43-33(27)34-28(38(37)48-40)14-8-20-44-34/h1-20H,21-22H2,(H,45,46)(H,47,48)
InChIKeyZMERYHREDIKOQD-UHFFFAOYSA-N
MW650.70 g/mol
LogP8.42
Rot. Bonds7

About 2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline

2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 102598066) has the molecular formula C40H26N8O2 and a molecular weight of 650.70 g/mol. Its IUPAC name is 2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

Compound Name2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
PubChem CID102598066
Molecular FormulaC40H26N8O2
Molecular Weight650.70 g/mol
Exact Mass650.22
IUPAC Name2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
SMILESc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OCCOc2ccccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C40H26N8O2/c1-3-15-29(23(9-1)39-45-35-25-11-5-17-41-31(25)32-26(36(35)46-39)12-6-18-42-32)49-21-22-50-30-16-4-2-10-24(30)40-47-37-27-13-7-19-43-33(27)34-28(38(37)48-40)14-8-20-44-34/h1-20H,21-22H2,(H,45,46)(H,47,48)
InChIKeyZMERYHREDIKOQD-UHFFFAOYSA-N
XLogP8.42
TPSA127.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.70
LogP ≤ 58.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The IUPAC name of 2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline (CID 102598066) is 2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline.
What is the SMILES notation for 2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The canonical SMILES for 2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline is c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OCCOc2ccccc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.
What is the InChIKey of 2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
The InChIKey is ZMERYHREDIKOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N8O2/c1-3-15-29(23(9-1)39-45-35-25-11-5-17-41-31(25)32-26(36(35)46-39)12-6-18-42-32)49-21-22-50-30-16-4-2-10-24(30)40-47-37-27-13-7-19-43-33(27)34-28(38(37)48-40)14-8-20-44-34/h1-20H,21-22H2,(H,45,46)(H,47,48).
What are the key properties of 2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline?
2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 650.70 g/mol, XLogP of 8.42, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenoxy]ethoxy]phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 102598066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).