2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene

C54H60S2 — CID 161310081

IUPAC2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene
SMILESCc1ccc(/C=C/c2cc3c(cc2-c2cccs2)C(C)(C)CCC3(C)C)cc1.Cc1ccc(/C=C/c2cc3c(cc2-c2ccsc2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/2C27H30S/c1-19-6-8-20(9-7-19)10-11-21-16-24-25(17-23(21)22-12-15-28-18-22)27(4,5)14-13-26(24,2)3;1-19-8-10-20(11-9-19)12-13-21-17-23-24(18-22(21)25-7-6-16-28-25)27(4,5)15-14-26(23,2)3/h6-12,15-18H,13-14H2,1-5H3;6-13,16-18H,14-15H2,1-5H3/b11-10+;13-12+
InChIKeyVITOQAFFMOYIBX-HWSKYPIJSA-N
MW773.21 g/mol
LogP16.49
Rot. Bonds6

About 2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene

2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene (PubChem CID 161310081) has the molecular formula C54H60S2 and a molecular weight of 773.21 g/mol. Its IUPAC name is 2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene.

Molecular Properties

Compound Name2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene
PubChem CID161310081
Molecular FormulaC54H60S2
Molecular Weight773.21 g/mol
Exact Mass772.41
IUPAC Name2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene
SMILESCc1ccc(/C=C/c2cc3c(cc2-c2cccs2)C(C)(C)CCC3(C)C)cc1.Cc1ccc(/C=C/c2cc3c(cc2-c2ccsc2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/2C27H30S/c1-19-6-8-20(9-7-19)10-11-21-16-24-25(17-23(21)22-12-15-28-18-22)27(4,5)14-13-26(24,2)3;1-19-8-10-20(11-9-19)12-13-21-17-23-24(18-22(21)25-7-6-16-28-25)27(4,5)15-14-26(23,2)3/h6-12,15-18H,13-14H2,1-5H3;6-13,16-18H,14-15H2,1-5H3/b11-10+;13-12+
InChIKeyVITOQAFFMOYIBX-HWSKYPIJSA-N
XLogP16.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.21
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene?
The IUPAC name of 2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene (CID 161310081) is 2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene.
What is the SMILES notation for 2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene?
The canonical SMILES for 2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene is Cc1ccc(/C=C/c2cc3c(cc2-c2cccs2)C(C)(C)CCC3(C)C)cc1.Cc1ccc(/C=C/c2cc3c(cc2-c2ccsc2)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of 2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene?
The InChIKey is VITOQAFFMOYIBX-HWSKYPIJSA-N. The full InChI is InChI=1S/2C27H30S/c1-19-6-8-20(9-7-19)10-11-21-16-24-25(17-23(21)22-12-15-28-18-22)27(4,5)14-13-26(24,2)3;1-19-8-10-20(11-9-19)12-13-21-17-23-24(18-22(21)25-7-6-16-28-25)27(4,5)15-14-26(23,2)3/h6-12,15-18H,13-14H2,1-5H3;6-13,16-18H,14-15H2,1-5H3/b11-10+;13-12+.
What are the key properties of 2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene?
2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene has a molecular weight of 773.21 g/mol, XLogP of 16.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene;3-[5,5,8,8-tetramethyl-3-[(E)-2-(4-methylphenyl)ethenyl]-6,7-dihydronaphthalen-2-yl]thiophene is sourced from PubChem (CID 161310081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).