1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene

C32H36 — CID 12037732

IUPAC1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene
SMILESC=Cc1cc(/C=C/c2ccc(C(C)(C)C)cc2)cc(/C=C/c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C32H36/c1-8-24-21-27(11-9-25-13-17-29(18-14-25)31(2,3)4)23-28(22-24)12-10-26-15-19-30(20-16-26)32(5,6)7/h8-23H,1H2,2-7H3/b11-9+,12-10+
InChIKeyLMONAJBOTTVMST-WGDLNXRISA-N
MW420.64 g/mol
LogP9.27
Rot. Bonds5

About 1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene

1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene (PubChem CID 12037732) has the molecular formula C32H36 and a molecular weight of 420.64 g/mol. Its IUPAC name is 1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene.

Molecular Properties

Compound Name1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene
PubChem CID12037732
Molecular FormulaC32H36
Molecular Weight420.64 g/mol
Exact Mass420.28
IUPAC Name1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene
SMILESC=Cc1cc(/C=C/c2ccc(C(C)(C)C)cc2)cc(/C=C/c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C32H36/c1-8-24-21-27(11-9-25-13-17-29(18-14-25)31(2,3)4)23-28(22-24)12-10-26-15-19-30(20-16-26)32(5,6)7/h8-23H,1H2,2-7H3/b11-9+,12-10+
InChIKeyLMONAJBOTTVMST-WGDLNXRISA-N
XLogP9.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 59.27
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 1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene?
The IUPAC name of 1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene (CID 12037732) is 1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene.
What is the SMILES notation for 1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene?
The canonical SMILES for 1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene is C=Cc1cc(/C=C/c2ccc(C(C)(C)C)cc2)cc(/C=C/c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene?
The InChIKey is LMONAJBOTTVMST-WGDLNXRISA-N. The full InChI is InChI=1S/C32H36/c1-8-24-21-27(11-9-25-13-17-29(18-14-25)31(2,3)4)23-28(22-24)12-10-26-15-19-30(20-16-26)32(5,6)7/h8-23H,1H2,2-7H3/b11-9+,12-10+.
What are the key properties of 1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene?
1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene has a molecular weight of 420.64 g/mol, XLogP of 9.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-2-(4-tert-butylphenyl)ethenyl]-5-ethenylbenzene is sourced from PubChem (CID 12037732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).