1-phenyl-4-(phenyldisulfanyl)naphthalene

C22H16S2 — CID 175390870

IUPAC1-phenyl-4-(phenyldisulfanyl)naphthalene
SMILESc1ccc(SSc2ccc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H16S2/c1-3-9-17(10-4-1)19-15-16-22(21-14-8-7-13-20(19)21)24-23-18-11-5-2-6-12-18/h1-16H
InChIKeyWDXUVPRQPSKODW-UHFFFAOYSA-N
MW344.50 g/mol
LogP7.31
Rot. Bonds4

About 1-phenyl-4-(phenyldisulfanyl)naphthalene

1-phenyl-4-(phenyldisulfanyl)naphthalene (PubChem CID 175390870) has the molecular formula C22H16S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-phenyl-4-(phenyldisulfanyl)naphthalene.

Molecular Properties

Compound Name1-phenyl-4-(phenyldisulfanyl)naphthalene
PubChem CID175390870
Molecular FormulaC22H16S2
Molecular Weight344.50 g/mol
Exact Mass344.07
IUPAC Name1-phenyl-4-(phenyldisulfanyl)naphthalene
SMILESc1ccc(SSc2ccc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C22H16S2/c1-3-9-17(10-4-1)19-15-16-22(21-14-8-7-13-20(19)21)24-23-18-11-5-2-6-12-18/h1-16H
InChIKeyWDXUVPRQPSKODW-UHFFFAOYSA-N
XLogP7.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

5-(phenyldisulfanyl)-1H-benzo[cd]indol-2-one
CID 21393376
2,5,8,11,20-pentakis(phenyldisulfanyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 25191600
1-fluoro-4-phenylnaphthalene
CID 46314926
1-phenyl-6-(6-phenylpyren-1-yl)sulfanylpyrene
CID 59557557
1-fluoro-4-(4-phenylphenyl)naphthalene
CID 165394983
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
1,2-diphenylnaphthalene
CID 11208267
diphenyl-bis[4-(4-phenylnaphthalen-1-yl)phenyl]silane
CID 177495996
1,4,8,11-tetraphenylpentacene
CID 102295223
1,2-diphenyl-4-phenylsulfanylbenzene
CID 141384585
4-phenylnaphthalene-1-carbaldehyde
CID 15050889
ethane;4-phenyl-N-(4-phenylnaphthalen-1-yl)naphthalen-1-amine
CID 145272952

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(phenyldisulfanyl)naphthalene?
The IUPAC name of 1-phenyl-4-(phenyldisulfanyl)naphthalene (CID 175390870) is 1-phenyl-4-(phenyldisulfanyl)naphthalene.
What is the SMILES notation for 1-phenyl-4-(phenyldisulfanyl)naphthalene?
The canonical SMILES for 1-phenyl-4-(phenyldisulfanyl)naphthalene is c1ccc(SSc2ccc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-phenyl-4-(phenyldisulfanyl)naphthalene?
The InChIKey is WDXUVPRQPSKODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16S2/c1-3-9-17(10-4-1)19-15-16-22(21-14-8-7-13-20(19)21)24-23-18-11-5-2-6-12-18/h1-16H.
What are the key properties of 1-phenyl-4-(phenyldisulfanyl)naphthalene?
1-phenyl-4-(phenyldisulfanyl)naphthalene has a molecular weight of 344.50 g/mol, XLogP of 7.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(phenyldisulfanyl)naphthalene is sourced from PubChem (CID 175390870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).