[(benzhydryldisulfanyl)-phenylmethyl]benzene

C26H22S2 — CID 12659002

IUPAC[(benzhydryldisulfanyl)-phenylmethyl]benzene
SMILESc1ccc(C(SSC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22S2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
InChIKeyAKPLSMYRLYRCQN-UHFFFAOYSA-N
MW398.60 g/mol
LogP7.95
Rot. Bonds7

About [(benzhydryldisulfanyl)-phenylmethyl]benzene

[(benzhydryldisulfanyl)-phenylmethyl]benzene (PubChem CID 12659002) has the molecular formula C26H22S2 and a molecular weight of 398.60 g/mol. Its IUPAC name is [(benzhydryldisulfanyl)-phenylmethyl]benzene.

Molecular Properties

Compound Name[(benzhydryldisulfanyl)-phenylmethyl]benzene
PubChem CID12659002
Molecular FormulaC26H22S2
Molecular Weight398.60 g/mol
Exact Mass398.12
IUPAC Name[(benzhydryldisulfanyl)-phenylmethyl]benzene
SMILESc1ccc(C(SSC(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22S2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H
InChIKeyAKPLSMYRLYRCQN-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.60
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(benzhydryldisulfanyl)-phenylmethyl]benzene?
The IUPAC name of [(benzhydryldisulfanyl)-phenylmethyl]benzene (CID 12659002) is [(benzhydryldisulfanyl)-phenylmethyl]benzene.
What is the SMILES notation for [(benzhydryldisulfanyl)-phenylmethyl]benzene?
The canonical SMILES for [(benzhydryldisulfanyl)-phenylmethyl]benzene is c1ccc(C(SSC(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(benzhydryldisulfanyl)-phenylmethyl]benzene?
The InChIKey is AKPLSMYRLYRCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22S2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-28-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H.
What are the key properties of [(benzhydryldisulfanyl)-phenylmethyl]benzene?
[(benzhydryldisulfanyl)-phenylmethyl]benzene has a molecular weight of 398.60 g/mol, XLogP of 7.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(benzhydryldisulfanyl)-phenylmethyl]benzene is sourced from PubChem (CID 12659002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).