7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one

C32H23NO3S — CID 23644942

IUPAC7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one
SMILESO=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc4ccccc34)ccc12
InChIInChI=1S/C32H23NO3S/c34-31-28-14-13-26(35-20-25-11-6-10-23-7-4-5-12-27(23)25)19-29(28)36-32(30(31)24-8-2-1-3-9-24)37-21-22-15-17-33-18-16-22/h1-19H,20-21H2
InChIKeyZAUDRYBAERQFQL-UHFFFAOYSA-N
MW501.61 g/mol
LogP7.88
Rot. Bonds7

About 7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one

7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one (PubChem CID 23644942) has the molecular formula C32H23NO3S and a molecular weight of 501.61 g/mol. Its IUPAC name is 7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one.

Molecular Properties

Compound Name7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one
PubChem CID23644942
Molecular FormulaC32H23NO3S
Molecular Weight501.61 g/mol
Exact Mass501.14
IUPAC Name7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one
SMILESO=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc4ccccc34)ccc12
InChIInChI=1S/C32H23NO3S/c34-31-28-14-13-26(35-20-25-11-6-10-23-7-4-5-12-27(23)25)19-29(28)36-32(30(31)24-8-2-1-3-9-24)37-21-22-15-17-33-18-16-22/h1-19H,20-21H2
InChIKeyZAUDRYBAERQFQL-UHFFFAOYSA-N
XLogP7.88
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.61
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(benzyloxy)-3-phenyl-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10026826
7-hydroxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10069029
7-hydroxy-3-(4-hydroxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10317448
7-Methoxy-3-phenyl-2-[(4-pyridylmethyl)thio]-4H-1-benzopyran-4-one
CID 11153057
7-Hydroxy-3-phenyl-2-[(4-pyridylmethyl)thio]-4h-1-benzopyran-4-one
CID 11164320
7-Methoxy-3-phenyl-2-[(3-pyridylmethyl)thio]-4h-1-benzopyran-4-one
CID 11164739
7-methoxy-3-(4-methylphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 11176755
3-(4-Methoxyphenyl)-7-(phenylmethoxy)-2-[(4-pyridylmethyl)thio]4H-1-benzopyran-4-one
CID 11179136
7-methoxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 11246736
7-Hydroxy-3-phenyl-2-[(3-pyridylmethyl)thio]-4h-1-benzopyran-4-one
CID 11417114
3-Phenyl-7-(4-fluorophenylmethoxy)-2-[(4-pyridylmethyl)thio]-4H-1-benzopyran-4-one
CID 23644948
3-phenyl-7-[(4-phenylphenyl)methoxy]-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 23644951

Frequently Asked Questions

What is the IUPAC name of 7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one?
The IUPAC name of 7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one (CID 23644942) is 7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one.
What is the SMILES notation for 7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one?
The canonical SMILES for 7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one is O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(OCc3cccc4ccccc34)ccc12.
What is the InChIKey of 7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one?
The InChIKey is ZAUDRYBAERQFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23NO3S/c34-31-28-14-13-26(35-20-25-11-6-10-23-7-4-5-12-27(23)25)19-29(28)36-32(30(31)24-8-2-1-3-9-24)37-21-22-15-17-33-18-16-22/h1-19H,20-21H2.
What are the key properties of 7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one?
7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one has a molecular weight of 501.61 g/mol, XLogP of 7.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(naphthalen-1-ylmethoxy)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one is sourced from PubChem (CID 23644942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).