1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene

C24H18O2S3 — CID 20560412

IUPAC1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene
SMILESc1ccc(Oc2ccccc2SSSc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H18O2S3/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)27-29-28-24-18-10-8-16-22(24)26-20-13-5-2-6-14-20/h1-18H
InChIKeySGAATDZTGUJNCO-UHFFFAOYSA-N
MW434.61 g/mol
LogP8.72
Rot. Bonds8

About 1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene

1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene (PubChem CID 20560412) has the molecular formula C24H18O2S3 and a molecular weight of 434.61 g/mol. Its IUPAC name is 1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene.

Molecular Properties

Compound Name1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene
PubChem CID20560412
Molecular FormulaC24H18O2S3
Molecular Weight434.61 g/mol
Exact Mass434.05
IUPAC Name1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene
SMILESc1ccc(Oc2ccccc2SSSc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C24H18O2S3/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)27-29-28-24-18-10-8-16-22(24)26-20-13-5-2-6-14-20/h1-18H
InChIKeySGAATDZTGUJNCO-UHFFFAOYSA-N
XLogP8.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.61
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-2-(2-phenoxyphenyl)sulfanylbenzene
CID 175940510
1-chloro-4-(2-phenoxyphenyl)sulfanylbenzene
CID 175940509
2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride
CID 173469138
1-phenoxy-2-[1-(2-phenoxyphenyl)ethyl]benzene
CID 139761762
N-methyl-2-phenoxyaniline
CID 22961955
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
1,3-diphenoxy-2-phenylbenzene
CID 88611434
azane;1-chloro-2-phenoxybenzene
CID 68980819
ethane;1-methyl-2-phenoxybenzene
CID 90950955
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
potassium phenoxybenzene
CID 19858586

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene?
The IUPAC name of 1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene (CID 20560412) is 1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene.
What is the SMILES notation for 1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene?
The canonical SMILES for 1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene is c1ccc(Oc2ccccc2SSSc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of 1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene?
The InChIKey is SGAATDZTGUJNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O2S3/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)27-29-28-24-18-10-8-16-22(24)26-20-13-5-2-6-14-20/h1-18H.
What are the key properties of 1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene?
1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene has a molecular weight of 434.61 g/mol, XLogP of 8.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-2-[(2-phenoxyphenyl)trisulfanyl]benzene is sourced from PubChem (CID 20560412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).