6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene

C32H34S2 — CID 145093989

IUPAC6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene
SMILESCSc1cc2ccccc2cc1/C=C/c1cc2ccc(CCC3CCCCC3)cc2cc1SC
InChIInChI=1S/C32H34S2/c1-33-31-21-26-11-7-6-10-25(26)19-28(31)16-17-29-20-27-15-14-24(18-30(27)22-32(29)34-2)13-12-23-8-4-3-5-9-23/h6-7,10-11,14-23H,3-5,8-9,12-13H2,1-2H3/b17-16+
InChIKeyDRIZURBYQMSCCO-WUKNDPDISA-N
MW482.76 g/mol
LogP10.12
Rot. Bonds7

About 6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene

6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene (PubChem CID 145093989) has the molecular formula C32H34S2 and a molecular weight of 482.76 g/mol. Its IUPAC name is 6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene.

Molecular Properties

Compound Name6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene
PubChem CID145093989
Molecular FormulaC32H34S2
Molecular Weight482.76 g/mol
Exact Mass482.21
IUPAC Name6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene
SMILESCSc1cc2ccccc2cc1/C=C/c1cc2ccc(CCC3CCCCC3)cc2cc1SC
InChIInChI=1S/C32H34S2/c1-33-31-21-26-11-7-6-10-25(26)19-28(31)16-17-29-20-27-15-14-24(18-30(27)22-32(29)34-2)13-12-23-8-4-3-5-9-23/h6-7,10-11,14-23H,3-5,8-9,12-13H2,1-2H3/b17-16+
InChIKeyDRIZURBYQMSCCO-WUKNDPDISA-N
XLogP10.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.76
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene?
The IUPAC name of 6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene (CID 145093989) is 6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene.
What is the SMILES notation for 6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene?
The canonical SMILES for 6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene is CSc1cc2ccccc2cc1/C=C/c1cc2ccc(CCC3CCCCC3)cc2cc1SC.
What is the InChIKey of 6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene?
The InChIKey is DRIZURBYQMSCCO-WUKNDPDISA-N. The full InChI is InChI=1S/C32H34S2/c1-33-31-21-26-11-7-6-10-25(26)19-28(31)16-17-29-20-27-15-14-24(18-30(27)22-32(29)34-2)13-12-23-8-4-3-5-9-23/h6-7,10-11,14-23H,3-5,8-9,12-13H2,1-2H3/b17-16+.
What are the key properties of 6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene?
6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene has a molecular weight of 482.76 g/mol, XLogP of 10.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylethyl)-3-methylsulfanyl-2-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene is sourced from PubChem (CID 145093989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).