1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene

C30H34 — CID 102332044

IUPAC1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
SMILESCC(C)(C)c1ccc(/C=C\c2ccc(/C=C\c3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C30H34/c1-29(2,3)27-19-15-25(16-20-27)13-11-23-7-9-24(10-8-23)12-14-26-17-21-28(22-18-26)30(4,5)6/h7-22H,1-6H3/b13-11-,14-12-
InChIKeyDHXABHPUQVFYIM-XSYHWHKQSA-N
MW394.60 g/mol
LogP8.62
Rot. Bonds4

About 1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene

1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene (PubChem CID 102332044) has the molecular formula C30H34 and a molecular weight of 394.60 g/mol. Its IUPAC name is 1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
PubChem CID102332044
Molecular FormulaC30H34
Molecular Weight394.60 g/mol
Exact Mass394.27
IUPAC Name1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
SMILESCC(C)(C)c1ccc(/C=C\c2ccc(/C=C\c3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C30H34/c1-29(2,3)27-19-15-25(16-20-27)13-11-23-7-9-24(10-8-23)12-14-26-17-21-28(22-18-26)30(4,5)6/h7-22H,1-6H3/b13-11-,14-12-
InChIKeyDHXABHPUQVFYIM-XSYHWHKQSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.60
LogP ≤ 58.62
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-tert-butyl-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 22712636
5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
CID 71454329
1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 164762812
1-(bromomethyl)-4-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 10381897
1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 14708009
[(E)-2-(4-tert-butylphenyl)ethenyl]-trimethylsilane
CID 102486403
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
CID 102263178
2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
CID 14597022
1-(3-bromoprop-1-enyl)-4-tert-butylbenzene
CID 79323485
[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol
CID 59816802
1-tert-butyl-4-ethenylbenzene
CID 15627
4-(4-tert-butylphenyl)but-3-en-2-ol
CID 139612527

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene?
The IUPAC name of 1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene (CID 102332044) is 1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene?
The canonical SMILES for 1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene is CC(C)(C)c1ccc(/C=C\c2ccc(/C=C\c3ccc(C(C)(C)C)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene?
The InChIKey is DHXABHPUQVFYIM-XSYHWHKQSA-N. The full InChI is InChI=1S/C30H34/c1-29(2,3)27-19-15-25(16-20-27)13-11-23-7-9-24(10-8-23)12-14-26-17-21-28(22-18-26)30(4,5)6/h7-22H,1-6H3/b13-11-,14-12-.
What are the key properties of 1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene?
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene has a molecular weight of 394.60 g/mol, XLogP of 8.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene is sourced from PubChem (CID 102332044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).