1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine

C25H18N2S — CID 7915599

IUPAC1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine
SMILESc1ccc(-c2nnc(SCc3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C25H18N2S/c1-2-10-19(11-3-1)24-22-15-6-7-16-23(22)25(27-26-24)28-17-20-13-8-12-18-9-4-5-14-21(18)20/h1-16H,17H2
InChIKeyOYEFYBJCYUFIKZ-UHFFFAOYSA-N
MW378.50 g/mol
LogP6.74
Rot. Bonds4

About 1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine

1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine (PubChem CID 7915599) has the molecular formula C25H18N2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine
PubChem CID7915599
Molecular FormulaC25H18N2S
Molecular Weight378.50 g/mol
Exact Mass378.12
IUPAC Name1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine
SMILESc1ccc(-c2nnc(SCc3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C25H18N2S/c1-2-10-19(11-3-1)24-22-15-6-7-16-23(22)25(27-26-24)28-17-20-13-8-12-18-9-4-5-14-21(18)20/h1-16H,17H2
InChIKeyOYEFYBJCYUFIKZ-UHFFFAOYSA-N
XLogP6.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methylsulfanyl]-4-phenylphthalazine
CID 6992145
5-(4-methylphenyl)-3-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 24667024
1-[(2,6-dichlorophenyl)methylsulfanyl]-4-(4-fluorophenyl)phthalazine
CID 4015733
N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 7580453
3-(2-ethoxyphenyl)-5-[(4-phenylphthalazin-1-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 24597012
3-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-4-propyl-1,2,4-triazole
CID 126103612
1-(difluoromethylsulfanyl)-4-phenylphthalazine
CID 6401158
1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine
CID 7239500
2-(naphthalen-1-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 19257192
2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole
CID 588118
1-butylsulfanyl-4-(4-methylphenyl)phthalazine
CID 6407380
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 17446702

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine?
The IUPAC name of 1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine (CID 7915599) is 1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine.
What is the SMILES notation for 1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine?
The canonical SMILES for 1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine is c1ccc(-c2nnc(SCc3cccc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine?
The InChIKey is OYEFYBJCYUFIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2S/c1-2-10-19(11-3-1)24-22-15-6-7-16-23(22)25(27-26-24)28-17-20-13-8-12-18-9-4-5-14-21(18)20/h1-16H,17H2.
What are the key properties of 1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine?
1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine has a molecular weight of 378.50 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethylsulfanyl)-4-phenylphthalazine is sourced from PubChem (CID 7915599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).