[(benzhydryltrisulfanyl)-phenylmethyl]benzene

C26H22S3 — CID 141498612

IUPAC[(benzhydryltrisulfanyl)-phenylmethyl]benzene
SMILESc1ccc(C(SSSC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22S3/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-29-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
InChIKeyGNGYDROLZIEUBO-UHFFFAOYSA-N
MW430.66 g/mol
LogP8.60
Rot. Bonds8

About [(benzhydryltrisulfanyl)-phenylmethyl]benzene

[(benzhydryltrisulfanyl)-phenylmethyl]benzene (PubChem CID 141498612) has the molecular formula C26H22S3 and a molecular weight of 430.66 g/mol. Its IUPAC name is [(benzhydryltrisulfanyl)-phenylmethyl]benzene.

Molecular Properties

Compound Name[(benzhydryltrisulfanyl)-phenylmethyl]benzene
PubChem CID141498612
Molecular FormulaC26H22S3
Molecular Weight430.66 g/mol
Exact Mass430.09
IUPAC Name[(benzhydryltrisulfanyl)-phenylmethyl]benzene
SMILESc1ccc(C(SSSC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22S3/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-29-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
InChIKeyGNGYDROLZIEUBO-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.66
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-phenylethyltetrasulfanyl)ethylbenzene
CID 71330817
[amino(benzhydrylsulfanyl)methylidene]azanium chloride
CID 165339375
[phenyl(phosphorososulfanyl)methyl]benzene
CID 71380023
[(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene
CID 12525253
magnesium;benzhydrylsilane;hydride
CID 174447165
[2-bromoethylsulfanyl(phenyl)methyl]benzene
CID 90389506
methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene
CID 159307359
[cyclopentylsulfanyl(phenyl)methyl]benzene
CID 66910804
1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene
CID 141458564
2,5-bis(benzhydrylsulfanyl)-1,3,4-thiadiazole
CID 4020982
1-benzhydrylsulfanylethenamine;methane
CID 143471455
CID 140568629
CID 140568629

Frequently Asked Questions

What is the IUPAC name of [(benzhydryltrisulfanyl)-phenylmethyl]benzene?
The IUPAC name of [(benzhydryltrisulfanyl)-phenylmethyl]benzene (CID 141498612) is [(benzhydryltrisulfanyl)-phenylmethyl]benzene.
What is the SMILES notation for [(benzhydryltrisulfanyl)-phenylmethyl]benzene?
The canonical SMILES for [(benzhydryltrisulfanyl)-phenylmethyl]benzene is c1ccc(C(SSSC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(benzhydryltrisulfanyl)-phenylmethyl]benzene?
The InChIKey is GNGYDROLZIEUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22S3/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-29-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H.
What are the key properties of [(benzhydryltrisulfanyl)-phenylmethyl]benzene?
[(benzhydryltrisulfanyl)-phenylmethyl]benzene has a molecular weight of 430.66 g/mol, XLogP of 8.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(benzhydryltrisulfanyl)-phenylmethyl]benzene is sourced from PubChem (CID 141498612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).