1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene

C26H36 — CID 173174943

IUPAC1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene
SMILESC=C(c1cc(C(C)C)cc(C(C)C)c1)c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C26H36/c1-16(2)21-10-22(17(3)4)13-25(12-21)20(9)26-14-23(18(5)6)11-24(15-26)19(7)8/h10-19H,9H2,1-8H3
InChIKeyIVBOFIOFRMPYET-UHFFFAOYSA-N
MW348.57 g/mol
LogP8.24
Rot. Bonds6

About 1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene

1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene (PubChem CID 173174943) has the molecular formula C26H36 and a molecular weight of 348.57 g/mol. Its IUPAC name is 1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene
PubChem CID173174943
Molecular FormulaC26H36
Molecular Weight348.57 g/mol
Exact Mass348.28
IUPAC Name1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene
SMILESC=C(c1cc(C(C)C)cc(C(C)C)c1)c1cc(C(C)C)cc(C(C)C)c1
InChIInChI=1S/C26H36/c1-16(2)21-10-22(17(3)4)13-25(12-21)20(9)26-14-23(18(5)6)11-24(15-26)19(7)8/h10-19H,9H2,1-8H3
InChIKeyIVBOFIOFRMPYET-UHFFFAOYSA-N
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene?
The IUPAC name of 1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene (CID 173174943) is 1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene.
What is the SMILES notation for 1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene?
The canonical SMILES for 1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene is C=C(c1cc(C(C)C)cc(C(C)C)c1)c1cc(C(C)C)cc(C(C)C)c1.
What is the InChIKey of 1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene?
The InChIKey is IVBOFIOFRMPYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36/c1-16(2)21-10-22(17(3)4)13-25(12-21)20(9)26-14-23(18(5)6)11-24(15-26)19(7)8/h10-19H,9H2,1-8H3.
What are the key properties of 1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene?
1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene has a molecular weight of 348.57 g/mol, XLogP of 8.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3,5-di(propan-2-yl)phenyl]ethenyl]-3,5-di(propan-2-yl)benzene is sourced from PubChem (CID 173174943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).