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

C30H34 — CID 102216000

IUPAC1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene
SMILESCCc1ccccc1/C=C/c1c(C)c(C)c(/C=C/c2ccccc2CC)c(C)c1C
InChIInChI=1S/C30H34/c1-7-25-13-9-11-15-27(25)17-19-29-21(3)23(5)30(24(6)22(29)4)20-18-28-16-12-10-14-26(28)8-2/h9-20H,7-8H2,1-6H3/b19-17+,20-18+
InChIKeySECQMECKSYOIHF-XPWSMXQVSA-N
MW394.60 g/mol
LogP8.39
Rot. Bonds6

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

1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene (PubChem CID 102216000) has the molecular formula C30H34 and a molecular weight of 394.60 g/mol. Its IUPAC name is 1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene.

Molecular Properties

Compound Name1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene
PubChem CID102216000
Molecular FormulaC30H34
Molecular Weight394.60 g/mol
Exact Mass394.27
IUPAC Name1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene
SMILESCCc1ccccc1/C=C/c1c(C)c(C)c(/C=C/c2ccccc2CC)c(C)c1C
InChIInChI=1S/C30H34/c1-7-25-13-9-11-15-27(25)17-19-29-21(3)23(5)30(24(6)22(29)4)20-18-28-16-12-10-14-26(28)8-2/h9-20H,7-8H2,1-6H3/b19-17+,20-18+
InChIKeySECQMECKSYOIHF-XPWSMXQVSA-N
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine
CID 54435957
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
3-(2-ethylphenyl)prop-2-enenitrile
CID 76943440
4-(2-ethylphenyl)but-3-en-1-ol
CID 170476106
1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne
CID 142194748
1-(4-bromobut-1-enyl)-2-ethylbenzene
CID 170497012
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
1-(2-ethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]benzene
CID 173216176
(2-ethylphenyl)methanimine
CID 58827978
1,2-diethylbenzene;hydrobromide
CID 174973685

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene?
The IUPAC name of 1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene (CID 102216000) is 1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene.
What is the SMILES notation for 1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene?
The canonical SMILES for 1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene is CCc1ccccc1/C=C/c1c(C)c(C)c(/C=C/c2ccccc2CC)c(C)c1C.
What is the InChIKey of 1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene?
The InChIKey is SECQMECKSYOIHF-XPWSMXQVSA-N. The full InChI is InChI=1S/C30H34/c1-7-25-13-9-11-15-27(25)17-19-29-21(3)23(5)30(24(6)22(29)4)20-18-28-16-12-10-14-26(28)8-2/h9-20H,7-8H2,1-6H3/b19-17+,20-18+.
What are the key properties of 1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene?
1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene has a molecular weight of 394.60 g/mol, XLogP of 8.39, 6 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-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene is sourced from PubChem (CID 102216000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).