ethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene

C36H52OS — CID 90933385

IUPACethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene
SMILESCC.CC.CC.CC.CC.COC(c1ccccc1)(c1ccccc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C26H22OS.5C2H6/c1-27-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-17-19-25(20-18-23)28-24-15-9-4-10-16-24;5*1-2/h2-20H,1H3;5*1-2H3
InChIKeyNRJDPWYFNVPKSW-UHFFFAOYSA-N
MW532.88 g/mol
LogP11.91
Rot. Bonds6

About ethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene

ethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene (PubChem CID 90933385) has the molecular formula C36H52OS and a molecular weight of 532.88 g/mol. Its IUPAC name is ethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene.

Molecular Properties

Compound Nameethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene
PubChem CID90933385
Molecular FormulaC36H52OS
Molecular Weight532.88 g/mol
Exact Mass532.37
IUPAC Nameethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene
SMILESCC.CC.CC.CC.CC.COC(c1ccccc1)(c1ccccc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C26H22OS.5C2H6/c1-27-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-17-19-25(20-18-23)28-24-15-9-4-10-16-24;5*1-2/h2-20H,1H3;5*1-2H3
InChIKeyNRJDPWYFNVPKSW-UHFFFAOYSA-N
XLogP11.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.88
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene?
The IUPAC name of ethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene (CID 90933385) is ethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene.
What is the SMILES notation for ethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene?
The canonical SMILES for ethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene is CC.CC.CC.CC.CC.COC(c1ccccc1)(c1ccccc1)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of ethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene?
The InChIKey is NRJDPWYFNVPKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22OS.5C2H6/c1-27-26(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-17-19-25(20-18-23)28-24-15-9-4-10-16-24;5*1-2/h2-20H,1H3;5*1-2H3.
What are the key properties of ethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene?
ethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene has a molecular weight of 532.88 g/mol, XLogP of 11.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[methoxy(diphenyl)methyl]-4-phenylsulfanylbenzene is sourced from PubChem (CID 90933385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).