2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol

C32H22N2OS — CID 153304132

IUPAC2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol
SMILESOc1ccccc1-c1nc(-c2cccc(Sc3nccc4ccccc34)c2)ccc1-c1ccccc1
InChIInChI=1S/C32H22N2OS/c35-30-16-7-6-15-28(30)31-26(22-9-2-1-3-10-22)17-18-29(34-31)24-12-8-13-25(21-24)36-32-27-14-5-4-11-23(27)19-20-33-32/h1-21,35H
InChIKeyYXHDFGPJAQJHQY-UHFFFAOYSA-N
MW482.61 g/mol
LogP8.49
Rot. Bonds5

About 2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol

2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol (PubChem CID 153304132) has the molecular formula C32H22N2OS and a molecular weight of 482.61 g/mol. Its IUPAC name is 2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol
PubChem CID153304132
Molecular FormulaC32H22N2OS
Molecular Weight482.61 g/mol
Exact Mass482.15
IUPAC Name2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol
SMILESOc1ccccc1-c1nc(-c2cccc(Sc3nccc4ccccc34)c2)ccc1-c1ccccc1
InChIInChI=1S/C32H22N2OS/c35-30-16-7-6-15-28(30)31-26(22-9-2-1-3-10-22)17-18-29(34-31)24-12-8-13-25(21-24)36-32-27-14-5-4-11-23(27)19-20-33-32/h1-21,35H
InChIKeyYXHDFGPJAQJHQY-UHFFFAOYSA-N
XLogP8.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-1-yl-4-[3-[4-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]pyridine
CID 163947785
2-[6-[3-[isoquinolin-1-yl(naphthalen-1-yl)amino]phenyl]-3-phenylpyrazin-2-yl]phenol
CID 153280508
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
1-[3-[4-(3,5-diphenylphenyl)-6-[3-(3,5-diphenylphenyl)phenyl]pyrimidin-2-yl]phenyl]isoquinoline
CID 140786241
3,6-diphenyl-2-pyridin-2-ylpyridine
CID 11652473
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline
CID 153458153
2-[6-(3-isoquinolin-1-yloxybenzene-2-id-1-yl)-4-phenyl-2-pyridinyl]phenol;platinum
CID 153304045
2-(2-naphthalen-1-yl-4-phenylphenyl)phenol
CID 174712226
1-(3,5-diphenylphenyl)-3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]isoquinoline;3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(3-naphthalen-1-ylphenyl)isoquinoline;3-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-1-(3-phenylphenyl)isoquinoline
CID 157287615
1-(15,22-diphenyl-18-hexacyclo[11.10.1.03,8.09,24.014,23.016,21]tetracosa-1,3,5,7,9(24),10,12,14,16(21),17,19,22-dodecaenyl)isoquinoline
CID 58309797
2-[4-(3-isoquinolin-1-yloxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 153304230
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol?
The IUPAC name of 2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol (CID 153304132) is 2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol is Oc1ccccc1-c1nc(-c2cccc(Sc3nccc4ccccc34)c2)ccc1-c1ccccc1.
What is the InChIKey of 2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol?
The InChIKey is YXHDFGPJAQJHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2OS/c35-30-16-7-6-15-28(30)31-26(22-9-2-1-3-10-22)17-18-29(34-31)24-12-8-13-25(21-24)36-32-27-14-5-4-11-23(27)19-20-33-32/h1-21,35H.
What are the key properties of 2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol?
2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol has a molecular weight of 482.61 g/mol, XLogP of 8.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-isoquinolin-1-ylsulfanylphenyl)-3-phenyl-2-pyridinyl]phenol is sourced from PubChem (CID 153304132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).