2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene

C28H32S — CID 67935167

IUPAC2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene
SMILESCCSc1ccc2cc(C=Cc3ccc4c(c3)C(C)(C)CCC4(C)C)ccc2c1
InChIInChI=1S/C28H32S/c1-6-29-24-13-12-22-17-20(9-11-23(22)19-24)7-8-21-10-14-25-26(18-21)28(4,5)16-15-27(25,2)3/h7-14,17-19H,6,15-16H2,1-5H3
InChIKeyYILDJCBPJOACAC-UHFFFAOYSA-N
MW400.63 g/mol
LogP8.47
Rot. Bonds4

About 2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene

2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene (PubChem CID 67935167) has the molecular formula C28H32S and a molecular weight of 400.63 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene.

Molecular Properties

Compound Name2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene
PubChem CID67935167
Molecular FormulaC28H32S
Molecular Weight400.63 g/mol
Exact Mass400.22
IUPAC Name2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene
SMILESCCSc1ccc2cc(C=Cc3ccc4c(c3)C(C)(C)CCC4(C)C)ccc2c1
InChIInChI=1S/C28H32S/c1-6-29-24-13-12-22-17-20(9-11-23(22)19-24)7-8-21-10-14-25-26(18-21)28(4,5)16-15-27(25,2)3/h7-14,17-19H,6,15-16H2,1-5H3
InChIKeyYILDJCBPJOACAC-UHFFFAOYSA-N
XLogP8.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.63
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene?
The IUPAC name of 2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene (CID 67935167) is 2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene.
What is the SMILES notation for 2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene?
The canonical SMILES for 2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene is CCSc1ccc2cc(C=Cc3ccc4c(c3)C(C)(C)CCC4(C)C)ccc2c1.
What is the InChIKey of 2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene?
The InChIKey is YILDJCBPJOACAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32S/c1-6-29-24-13-12-22-17-20(9-11-23(22)19-24)7-8-21-10-14-25-26(18-21)28(4,5)16-15-27(25,2)3/h7-14,17-19H,6,15-16H2,1-5H3.
What are the key properties of 2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene?
2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene has a molecular weight of 400.63 g/mol, XLogP of 8.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]naphthalene is sourced from PubChem (CID 67935167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).