1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene

C38H50 — CID 14708009

IUPAC1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
SMILESCC(C)(C)c1cc(/C=C/c2ccc(/C=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C38H50/c1-35(2,3)31-21-29(22-32(25-31)36(4,5)6)19-17-27-13-15-28(16-14-27)18-20-30-23-33(37(7,8)9)26-34(24-30)38(10,11)12/h13-26H,1-12H3/b19-17+,20-18+
InChIKeyYTMGCGREUWEJLX-XPWSMXQVSA-N
MW506.82 g/mol
LogP11.22
Rot. Bonds4

About 1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene

1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene (PubChem CID 14708009) has the molecular formula C38H50 and a molecular weight of 506.82 g/mol. Its IUPAC name is 1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
PubChem CID14708009
Molecular FormulaC38H50
Molecular Weight506.82 g/mol
Exact Mass506.39
IUPAC Name1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
SMILESCC(C)(C)c1cc(/C=C/c2ccc(/C=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1
InChIInChI=1S/C38H50/c1-35(2,3)31-21-29(22-32(25-31)36(4,5)6)19-17-27-13-15-28(16-14-27)18-20-30-23-33(37(7,8)9)26-34(24-30)38(10,11)12/h13-26H,1-12H3/b19-17+,20-18+
InChIKeyYTMGCGREUWEJLX-XPWSMXQVSA-N
XLogP11.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.82
LogP ≤ 511.22
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

1,3-ditert-butyl-5-[2-(3,5-ditert-butylphenyl)ethenyl]benzene
CID 4625492
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
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-[(Z)-2-(2-bromophenyl)ethenyl]-3,5-ditert-butylbenzene
CID 10714265
1,3-ditert-butyl-5-[(E)-2-[3-(2,2-dibromoethenyl)-5-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 87326853
1,3-ditert-butyl-5-[2-[3-[2-(3,5-ditert-butylphenyl)ethenyl]-5-ethynylphenyl]ethenyl]benzene
CID 86592750
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
CID 102263178
[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol
CID 59816802
(2E,4E)-5-(3,5-ditert-butylphenyl)penta-2,4-dienal
CID 10659685
1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene
CID 144776019
2,7-bis[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]-5,10-diphenylindolo[3,2-b]indole
CID 130303941

Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene?
The IUPAC name of 1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene (CID 14708009) is 1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene is CC(C)(C)c1cc(/C=C/c2ccc(/C=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1.
What is the InChIKey of 1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene?
The InChIKey is YTMGCGREUWEJLX-XPWSMXQVSA-N. The full InChI is InChI=1S/C38H50/c1-35(2,3)31-21-29(22-32(25-31)36(4,5)6)19-17-27-13-15-28(16-14-27)18-20-30-23-33(37(7,8)9)26-34(24-30)38(10,11)12/h13-26H,1-12H3/b19-17+,20-18+.
What are the key properties of 1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene?
1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene has a molecular weight of 506.82 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 14708009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).