8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one

C63H43N3O4 — CID 165148897

IUPAC8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one
SMILESO=c1oc2cccnc2c2ccc(CCc3cc(CCc4ccc5c(c4)c(=O)oc4cccnc45)cc(-c4ccccc4-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc4)c3)cc12
InChIInChI=1S/C63H43N3O4/c67-62-55-37-40(18-28-53(55)60-58(69-62)12-6-31-65-60)14-16-42-34-43(17-15-41-19-29-54-56(38-41)63(68)70-59-13-7-32-66-61(54)59)36-50(35-42)52-11-5-4-10-51(52)47-24-26-48(27-25-47)57-39-49(30-33-64-57)46-22-20-45(21-23-46)44-8-2-1-3-9-44/h1-13,18-39H,14-17H2
InChIKeyVJUYKIVGFOPFLK-UHFFFAOYSA-N
MW906.05 g/mol
LogP14.30
Rot. Bonds11

About 8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one

8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one (PubChem CID 165148897) has the molecular formula C63H43N3O4 and a molecular weight of 906.05 g/mol. Its IUPAC name is 8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one.

Molecular Properties

Compound Name8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one
PubChem CID165148897
Molecular FormulaC63H43N3O4
Molecular Weight906.05 g/mol
Exact Mass905.33
IUPAC Name8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one
SMILESO=c1oc2cccnc2c2ccc(CCc3cc(CCc4ccc5c(c4)c(=O)oc4cccnc45)cc(-c4ccccc4-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc4)c3)cc12
InChIInChI=1S/C63H43N3O4/c67-62-55-37-40(18-28-53(55)60-58(69-62)12-6-31-65-60)14-16-42-34-43(17-15-41-19-29-54-56(38-41)63(68)70-59-13-7-32-66-61(54)59)36-50(35-42)52-11-5-4-10-51(52)47-24-26-48(27-25-47)57-39-49(30-33-64-57)46-22-20-45(21-23-46)44-8-2-1-3-9-44/h1-13,18-39H,14-17H2
InChIKeyVJUYKIVGFOPFLK-UHFFFAOYSA-N
XLogP14.30
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.05
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one with MolForge

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Related Compounds

2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148975
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine
CID 176729025
[4-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]-trimethylsilane
CID 165148525
2-[4-[2-[3,5-bis[2-[4-(3-phenylimidazolidin-1-yl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165149093
2-[4-[2-[3,5-bis[2-(3-fluoro-4-pyridin-2-ylphenyl)ethyl]phenyl]-4-fluorophenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148303
2,3-dimethyl-10-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]imidazo[1,2-f]phenanthridine
CID 176729035
2-[4-[2-[3,5-bis[2-(4-pyrazol-1-ylphenyl)phenyl]phenyl]ethyl]phenyl]-4-phenylpyridine
CID 139429234
5-[2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-4-pyridinyl]benzene-1,3-dicarbonitrile
CID 165148385
2-[4-[2-[3-[2-[4-[4-(4-dibenzofuran-3-ylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]ethyl]phenyl]ethyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 165148195
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)ethyl]phenyl]phenyl]benzene-6-id-1-yl]-4-(7-phenyldibenzofuran-4-yl)pyridine;iridium(3+)
CID 165148226
2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine
CID 153458075

Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one?
The IUPAC name of 8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one (CID 165148897) is 8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one.
What is the SMILES notation for 8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one?
The canonical SMILES for 8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one is O=c1oc2cccnc2c2ccc(CCc3cc(CCc4ccc5c(c4)c(=O)oc4cccnc45)cc(-c4ccccc4-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc4)c3)cc12.
What is the InChIKey of 8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one?
The InChIKey is VJUYKIVGFOPFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N3O4/c67-62-55-37-40(18-28-53(55)60-58(69-62)12-6-31-65-60)14-16-42-34-43(17-15-41-19-29-54-56(38-41)63(68)70-59-13-7-32-66-61(54)59)36-50(35-42)52-11-5-4-10-51(52)47-24-26-48(27-25-47)57-39-49(30-33-64-57)46-22-20-45(21-23-46)44-8-2-1-3-9-44/h1-13,18-39H,14-17H2.
What are the key properties of 8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one?
8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one has a molecular weight of 906.05 g/mol, XLogP of 14.30, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-[2-(6-oxoisochromeno[4,3-b]pyridin-8-yl)ethyl]-5-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]ethyl]isochromeno[4,3-b]pyridin-6-one is sourced from PubChem (CID 165148897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).