1-(4-pyridin-2-ylphenyl)isoquinoline

C20H14N2 — CID 58947156

IUPAC1-(4-pyridin-2-ylphenyl)isoquinoline
SMILESc1ccc(-c2ccc(-c3nccc4ccccc34)cc2)nc1
InChIInChI=1S/C20H14N2/c1-2-6-18-15(5-1)12-14-22-20(18)17-10-8-16(9-11-17)19-7-3-4-13-21-19/h1-14H
InChIKeyUSASMLNBXLLFOC-UHFFFAOYSA-N
MW282.35 g/mol
LogP4.96
Rot. Bonds2

About 1-(4-pyridin-2-ylphenyl)isoquinoline

1-(4-pyridin-2-ylphenyl)isoquinoline (PubChem CID 58947156) has the molecular formula C20H14N2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylphenyl)isoquinoline.

Molecular Properties

Compound Name1-(4-pyridin-2-ylphenyl)isoquinoline
PubChem CID58947156
Molecular FormulaC20H14N2
Molecular Weight282.35 g/mol
Exact Mass282.12
IUPAC Name1-(4-pyridin-2-ylphenyl)isoquinoline
SMILESc1ccc(-c2ccc(-c3nccc4ccccc34)cc2)nc1
InChIInChI=1S/C20H14N2/c1-2-6-18-15(5-1)12-14-22-20(18)17-10-8-16(9-11-17)19-7-3-4-13-21-19/h1-14H
InChIKeyUSASMLNBXLLFOC-UHFFFAOYSA-N
XLogP4.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)
CID 159285657
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline
CID 153458153
carbanide;iridium;1-phenylisoquinoline
CID 166502152
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
1-(4-ethylphenyl)isoquinoline
CID 58184660
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-phenanthren-9-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]isoquinoline
CID 158472382
iridium(3+);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 140815692
1-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]isoquinoline;1-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]isoquinoline;1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]isoquinoline;4-naphthalen-2-yl-6-phenanthren-9-yl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 162204163
1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 58462262
1-[4-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]isoquinoline
CID 58462281
1-[3-(4,6-diphenylpyrimidin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582444
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine;1-[4-[4-(3,5-dipyridin-2-ylphenyl)-6-(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline;4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163759383

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylphenyl)isoquinoline?
The IUPAC name of 1-(4-pyridin-2-ylphenyl)isoquinoline (CID 58947156) is 1-(4-pyridin-2-ylphenyl)isoquinoline.
What is the SMILES notation for 1-(4-pyridin-2-ylphenyl)isoquinoline?
The canonical SMILES for 1-(4-pyridin-2-ylphenyl)isoquinoline is c1ccc(-c2ccc(-c3nccc4ccccc34)cc2)nc1.
What is the InChIKey of 1-(4-pyridin-2-ylphenyl)isoquinoline?
The InChIKey is USASMLNBXLLFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2/c1-2-6-18-15(5-1)12-14-22-20(18)17-10-8-16(9-11-17)19-7-3-4-13-21-19/h1-14H.
What are the key properties of 1-(4-pyridin-2-ylphenyl)isoquinoline?
1-(4-pyridin-2-ylphenyl)isoquinoline has a molecular weight of 282.35 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylphenyl)isoquinoline is sourced from PubChem (CID 58947156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).