1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene

C54H46 — CID 20678110

IUPAC1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene
SMILESCc1c(C)c(/C=C/c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c(C)c(C)c1/C=C/c1ccc(C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C54H46/c1-39-40(2)52(36-34-44-27-31-46(32-28-44)38-54(49-21-13-7-14-22-49)50-23-15-8-16-24-50)42(4)41(3)51(39)35-33-43-25-29-45(30-26-43)37-53(47-17-9-5-10-18-47)48-19-11-6-12-20-48/h5-38H,1-4H3/b35-33+,36-34+
InChIKeyWYSLTFSHOIOLGE-LBYUQGKWSA-N
MW694.96 g/mol
LogP14.44
Rot. Bonds10

About 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene

1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene (PubChem CID 20678110) has the molecular formula C54H46 and a molecular weight of 694.96 g/mol. Its IUPAC name is 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene
PubChem CID20678110
Molecular FormulaC54H46
Molecular Weight694.96 g/mol
Exact Mass694.36
IUPAC Name1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene
SMILESCc1c(C)c(/C=C/c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c(C)c(C)c1/C=C/c1ccc(C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C54H46/c1-39-40(2)52(36-34-44-27-31-46(32-28-44)38-54(49-21-13-7-14-22-49)50-23-15-8-16-24-50)42(4)41(3)51(39)35-33-43-25-29-45(30-26-43)37-53(47-17-9-5-10-18-47)48-19-11-6-12-20-48/h5-38H,1-4H3/b35-33+,36-34+
InChIKeyWYSLTFSHOIOLGE-LBYUQGKWSA-N
XLogP14.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.96
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene?
The IUPAC name of 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene (CID 20678110) is 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene.
What is the SMILES notation for 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene?
The canonical SMILES for 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene is Cc1c(C)c(/C=C/c2ccc(C=C(c3ccccc3)c3ccccc3)cc2)c(C)c(C)c1/C=C/c1ccc(C=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene?
The InChIKey is WYSLTFSHOIOLGE-LBYUQGKWSA-N. The full InChI is InChI=1S/C54H46/c1-39-40(2)52(36-34-44-27-31-46(32-28-44)38-54(49-21-13-7-14-22-49)50-23-15-8-16-24-50)42(4)41(3)51(39)35-33-43-25-29-45(30-26-43)37-53(47-17-9-5-10-18-47)48-19-11-6-12-20-48/h5-38H,1-4H3/b35-33+,36-34+.
What are the key properties of 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene?
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene has a molecular weight of 694.96 g/mol, XLogP of 14.44, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,3,5,6-tetramethylbenzene is sourced from PubChem (CID 20678110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).