8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline

C40H26N4O — CID 153428933

IUPAC8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline
SMILESc1ccc(-c2ccnc(-c3cc(Oc4cc(-c5cc(-c6ccccc6)ccn5)c5cnccc5c4)cc4ccncc34)c2)cc1
InChIInChI=1S/C40H26N4O/c1-3-7-27(8-4-1)29-13-17-43-39(21-29)35-23-33(19-31-11-15-41-25-37(31)35)45-34-20-32-12-16-42-26-38(32)36(24-34)40-22-30(14-18-44-40)28-9-5-2-6-10-28/h1-26H
InChIKeyULWVPQMXPHZASF-UHFFFAOYSA-N
MW578.68 g/mol
LogP10.03
Rot. Bonds6

About 8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline

8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline (PubChem CID 153428933) has the molecular formula C40H26N4O and a molecular weight of 578.68 g/mol. Its IUPAC name is 8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline.

Molecular Properties

Compound Name8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline
PubChem CID153428933
Molecular FormulaC40H26N4O
Molecular Weight578.68 g/mol
Exact Mass578.21
IUPAC Name8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline
SMILESc1ccc(-c2ccnc(-c3cc(Oc4cc(-c5cc(-c6ccccc6)ccn5)c5cnccc5c4)cc4ccncc34)c2)cc1
InChIInChI=1S/C40H26N4O/c1-3-7-27(8-4-1)29-13-17-43-39(21-29)35-23-33(19-31-11-15-41-25-37(31)35)45-34-20-32-12-16-42-26-38(32)36(24-34)40-22-30(14-18-44-40)28-9-5-2-6-10-28/h1-26H
InChIKeyULWVPQMXPHZASF-UHFFFAOYSA-N
XLogP10.03
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline with MolForge

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Related Compounds

osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline
CID 153428799
4-phenyl-2-[4-[3-(4-phenyl-2-pyridinyl)naphthalen-1-yl]oxynaphthalen-2-yl]pyridine
CID 153428879
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(4-phenyl-2-pyridinyl)quinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(5-phenyl-2-pyridinyl)quinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(4-pyridin-4-yl-2-pyridinyl)quinoline
CID 161425046
2-(2-fluorophenyl)-4-phenylpyridine
CID 54208390
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
6-phenoxyisoquinoline
CID 170278308
4-phenyl-2-[3-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]phenyl]pyridine
CID 168763339
1-[3-tert-butyl-5-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]oxyphenyl]isoquinoline
CID 153429141
2-(2-phenyl-4-pyridinyl)pyrazine
CID 58421040
2-[2-[2-chloro-3-[2-[2-chloro-3-[2-(4-phenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenylpyridine
CID 176737824
4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)
CID 153428928

Frequently Asked Questions

What is the IUPAC name of 8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline?
The IUPAC name of 8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline (CID 153428933) is 8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline.
What is the SMILES notation for 8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline?
The canonical SMILES for 8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline is c1ccc(-c2ccnc(-c3cc(Oc4cc(-c5cc(-c6ccccc6)ccn5)c5cnccc5c4)cc4ccncc34)c2)cc1.
What is the InChIKey of 8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline?
The InChIKey is ULWVPQMXPHZASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O/c1-3-7-27(8-4-1)29-13-17-43-39(21-29)35-23-33(19-31-11-15-41-25-37(31)35)45-34-20-32-12-16-42-26-38(32)36(24-34)40-22-30(14-18-44-40)28-9-5-2-6-10-28/h1-26H.
What are the key properties of 8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline?
8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline has a molecular weight of 578.68 g/mol, XLogP of 10.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline is sourced from PubChem (CID 153428933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).