3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline

C30H20N2O — CID 153428799

IUPAC3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline
SMILESc1ccc(-c2cc(Oc3cccc(-c4cc5ccccc5cn4)c3)cc3ccccc23)nc1
InChIInChI=1S/C30H20N2O/c1-2-10-24-20-32-30(18-21(24)8-1)23-11-7-12-25(17-23)33-26-16-22-9-3-4-13-27(22)28(19-26)29-14-5-6-15-31-29/h1-20H
InChIKeyQESWZOANLFPJIF-UHFFFAOYSA-N
MW424.50 g/mol
LogP7.91
Rot. Bonds4

About 3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline

3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline (PubChem CID 153428799) has the molecular formula C30H20N2O and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline.

Molecular Properties

Compound Name3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline
PubChem CID153428799
Molecular FormulaC30H20N2O
Molecular Weight424.50 g/mol
Exact Mass424.16
IUPAC Name3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline
SMILESc1ccc(-c2cc(Oc3cccc(-c4cc5ccccc5cn4)c3)cc3ccccc23)nc1
InChIInChI=1S/C30H20N2O/c1-2-10-24-20-32-30(18-21(24)8-1)23-11-7-12-25(17-23)33-26-16-22-9-3-4-13-27(22)28(19-26)29-14-5-6-15-31-29/h1-20H
InChIKeyQESWZOANLFPJIF-UHFFFAOYSA-N
XLogP7.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]isoquinoline
CID 159467919
3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]isoquinoline
CID 153428756
2-(3-pyridin-3-yloxyphenyl)pyridine
CID 123250920
1-[3-(3-tert-butyl-5-isoquinolin-3-ylphenoxy)phenyl]isoquinoline
CID 153428960
3-[4-[2,6-bis(3-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]isoquinoline
CID 122427585
2-[3-(3-methyl-5-pyridin-2-ylphenoxy)phenyl]pyridine
CID 142562263
4-(2-chlorophenyl)-5-methyl-2-[3-(3-pyridin-2-ylphenoxy)phenyl]pyridine
CID 162771209
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline
CID 153428933
8-(4-tert-butyl-2-pyridinyl)-6-[3-(4-tert-butyl-2-pyridinyl)phenoxy]quinoline
CID 153428997
2-phenyl-6-(3-pyridin-2-ylphenoxy)pyridine
CID 58871043
4,6-di(phenanthren-9-yl)-2-(4-pyridin-2-ylphenyl)pyrimidine;1-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline;3-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline
CID 160580217

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline?
The IUPAC name of 3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline (CID 153428799) is 3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline.
What is the SMILES notation for 3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline?
The canonical SMILES for 3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline is c1ccc(-c2cc(Oc3cccc(-c4cc5ccccc5cn4)c3)cc3ccccc23)nc1.
What is the InChIKey of 3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline?
The InChIKey is QESWZOANLFPJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O/c1-2-10-24-20-32-30(18-21(24)8-1)23-11-7-12-25(17-23)33-26-16-22-9-3-4-13-27(22)28(19-26)29-14-5-6-15-31-29/h1-20H.
What are the key properties of 3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline?
3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline has a molecular weight of 424.50 g/mol, XLogP of 7.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-pyridin-2-ylnaphthalen-2-yl)oxyphenyl]isoquinoline is sourced from PubChem (CID 153428799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).