diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane

C26H23PS — CID 24894846

IUPACdiphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane
SMILESc1ccc(SCc2cccc(CP(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C26H23PS/c1-4-13-24(14-5-1)27(25-15-6-2-7-16-25)20-22-11-10-12-23(19-22)21-28-26-17-8-3-9-18-26/h1-19H,20-21H2
InChIKeyGUQVCGALJCQILH-UHFFFAOYSA-N
MW398.51 g/mol
LogP6.61
Rot. Bonds7

About diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane

diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane (PubChem CID 24894846) has the molecular formula C26H23PS and a molecular weight of 398.51 g/mol. Its IUPAC name is diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane.

Molecular Properties

Compound Namediphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane
PubChem CID24894846
Molecular FormulaC26H23PS
Molecular Weight398.51 g/mol
Exact Mass398.13
IUPAC Namediphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane
SMILESc1ccc(SCc2cccc(CP(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C26H23PS/c1-4-13-24(14-5-1)27(25-15-6-2-7-16-25)20-22-11-10-12-23(19-22)21-28-26-17-8-3-9-18-26/h1-19H,20-21H2
InChIKeyGUQVCGALJCQILH-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chlororuthenium;[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane;triphenylphosphane
CID 11480006
1-(methyldisulfanyl)-3-(phenylsulfanylmethyl)benzene
CID 154664341
[5-(diphenylphosphanylmethyl)-3-pyridinyl]methyl-diphenylphosphane
CID 15763240
bis(benzyl(diphenyl)phosphane);dichloropalladium
CID 134992154
1-benzylsulfanyl-4-(4-benzylsulfanylphenyl)sulfanylbenzene
CID 3090418
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
CID 91656520
4-[[3-[bis[4-(dimethylamino)phenyl]phosphanylmethyl]phenyl]methyl-[4-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline
CID 10985623
[2,6-dichloro-4-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
CID 139626936
1-tert-butyl-3,5-bis[[3-tert-butyl-5-[[3-tert-butyl-5-[[3-tert-butyl-5-(phenylsulfanylmethyl)phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]phenyl]methylsulfanylmethyl]benzene
CID 102475228
[3,5-bis(phenylmethoxy)phenyl]methyl-diphenylphosphane
CID 11982331
1-benzylsulfanyl-4-methylbenzene
CID 10940369
1-benzylsulfanyl-4-methylsulfanylbenzene
CID 13058449

Frequently Asked Questions

What is the IUPAC name of diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane?
The IUPAC name of diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane (CID 24894846) is diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane.
What is the SMILES notation for diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane?
The canonical SMILES for diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane is c1ccc(SCc2cccc(CP(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane?
The InChIKey is GUQVCGALJCQILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23PS/c1-4-13-24(14-5-1)27(25-15-6-2-7-16-25)20-22-11-10-12-23(19-22)21-28-26-17-8-3-9-18-26/h1-19H,20-21H2.
What are the key properties of diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane?
diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane has a molecular weight of 398.51 g/mol, XLogP of 6.61, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[[3-(phenylsulfanylmethyl)phenyl]methyl]phosphane is sourced from PubChem (CID 24894846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).