6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline

C64H36N6O2 — CID 138661885

IUPAC6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline
SMILESc1cc(-c2ccc(-c3c4ccccc4nc4c3oc3ccccc34)cc2)nc(-c2cc(-c3cccc4oc5c(-c6ccc(-c7ccc8ccc9cccnc9c8n7)cc6)c6ccccc6nc5c34)ccn2)c1
InChIInChI=1S/C64H36N6O2/c1-4-15-50-45(11-1)56(63-61(69-50)47-13-3-6-19-54(47)71-63)39-25-21-37(22-26-39)48-17-8-18-52(67-48)53-36-43(33-35-65-53)44-14-7-20-55-58(44)62-64(72-55)57(46-12-2-5-16-51(46)70-62)40-27-23-38(24-28-40)49-32-31-42-30-29-41-10-9-34-66-59(41)60(42)68-49/h1-36H
InChIKeyXQKNBYFVWRGIOC-UHFFFAOYSA-N
MW921.03 g/mol
LogP16.47
Rot. Bonds6

About 6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline

6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline (PubChem CID 138661885) has the molecular formula C64H36N6O2 and a molecular weight of 921.03 g/mol. Its IUPAC name is 6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline
PubChem CID138661885
Molecular FormulaC64H36N6O2
Molecular Weight921.03 g/mol
Exact Mass920.29
IUPAC Name6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline
SMILESc1cc(-c2ccc(-c3c4ccccc4nc4c3oc3ccccc34)cc2)nc(-c2cc(-c3cccc4oc5c(-c6ccc(-c7ccc8ccc9cccnc9c8n7)cc6)c6ccccc6nc5c34)ccn2)c1
InChIInChI=1S/C64H36N6O2/c1-4-15-50-45(11-1)56(63-61(69-50)47-13-3-6-19-54(47)71-63)39-25-21-37(22-26-39)48-17-8-18-52(67-48)53-36-43(33-35-65-53)44-14-7-20-55-58(44)62-64(72-55)57(46-12-2-5-16-51(46)70-62)40-27-23-38(24-28-40)49-32-31-42-30-29-41-10-9-34-66-59(41)60(42)68-49/h1-36H
InChIKeyXQKNBYFVWRGIOC-UHFFFAOYSA-N
XLogP16.47
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.03
LogP ≤ 516.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline (CID 138661885) is 6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline is c1cc(-c2ccc(-c3c4ccccc4nc4c3oc3ccccc34)cc2)nc(-c2cc(-c3cccc4oc5c(-c6ccc(-c7ccc8ccc9cccnc9c8n7)cc6)c6ccccc6nc5c34)ccn2)c1.
What is the InChIKey of 6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline?
The InChIKey is XQKNBYFVWRGIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36N6O2/c1-4-15-50-45(11-1)56(63-61(69-50)47-13-3-6-19-54(47)71-63)39-25-21-37(22-26-39)48-17-8-18-52(67-48)53-36-43(33-35-65-53)44-14-7-20-55-58(44)62-64(72-55)57(46-12-2-5-16-51(46)70-62)40-27-23-38(24-28-40)49-32-31-42-30-29-41-10-9-34-66-59(41)60(42)68-49/h1-36H.
What are the key properties of 6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline?
6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline has a molecular weight of 921.03 g/mol, XLogP of 16.47, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-[4-([1]benzofuro[3,2-b]quinolin-11-yl)phenyl]-2-pyridinyl]-4-pyridinyl]-11-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 138661885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).