[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol

C71H76O — CID 59816802

IUPAC[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol
SMILESCC(C)(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(C(C)(C)C)cc3)cc(/C=C/c3cc(/C=C/c4cc(/C=C/c5ccc(C(C)(C)C)cc5)cc(/C=C/c5ccc(C(C)(C)C)cc5)c4)cc(CO)c3)c2)cc1
InChIInChI=1S/C71H76O/c1-68(2,3)64-33-25-51(26-34-64)13-17-55-41-56(18-14-52-27-35-65(36-28-52)69(4,5)6)44-59(43-55)21-23-61-47-62(49-63(48-61)50-72)24-22-60-45-57(19-15-53-29-37-66(38-30-53)70(7,8)9)42-58(46-60)20-16-54-31-39-67(40-32-54)71(10,11)12/h13-49,72H,50H2,1-12H3/b17-13+,18-14+,19-15+,20-16+,23-21+,24-22+
InChIKeyFNVWCERXEVJISQ-KERSXIQOSA-N
MW945.39 g/mol
LogP19.39
Rot. Bonds13

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

[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol (PubChem CID 59816802) has the molecular formula C71H76O and a molecular weight of 945.39 g/mol. Its IUPAC name is [3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol.

Molecular Properties

Compound Name[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol
PubChem CID59816802
Molecular FormulaC71H76O
Molecular Weight945.39 g/mol
Exact Mass944.59
IUPAC Name[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol
SMILESCC(C)(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(C(C)(C)C)cc3)cc(/C=C/c3cc(/C=C/c4cc(/C=C/c5ccc(C(C)(C)C)cc5)cc(/C=C/c5ccc(C(C)(C)C)cc5)c4)cc(CO)c3)c2)cc1
InChIInChI=1S/C71H76O/c1-68(2,3)64-33-25-51(26-34-64)13-17-55-41-56(18-14-52-27-35-65(36-28-52)69(4,5)6)44-59(43-55)21-23-61-47-62(49-63(48-61)50-72)24-22-60-45-57(19-15-53-29-37-66(38-30-53)70(7,8)9)42-58(46-60)20-16-54-31-39-67(40-32-54)71(10,11)12/h13-49,72H,50H2,1-12H3/b17-13+,18-14+,19-15+,20-16+,23-21+,24-22+
InChIKeyFNVWCERXEVJISQ-KERSXIQOSA-N
XLogP19.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.39
LogP ≤ 519.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol with MolForge

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Related Compounds

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CID 104977
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1-(1-Pyrenyl)ethanol
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2-Pyrenemethanol
CID 146932
3-(5'-{2-[3,4-Bis(Hydroxymethyl)phenyl]ethyl}-2'-Methyl-2-Propylbiphenyl-4-Yl)pentan-3-Ol
CID 9847095
alpha-Phenyl[1,1'-biphenyl]-4-methanol
CID 95512
7-Methylbenz(a)anthracene-12-methanol
CID 11284
Benz(a)anthracene-7-methanol
CID 85290
9-Hydroxymethyl-10-methylanthracene
CID 114974
Dibenzo(def,mno)chrysene-6-methanol
CID 149704

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol?
The IUPAC name of [3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol (CID 59816802) is [3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol.
What is the SMILES notation for [3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol?
The canonical SMILES for [3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol is CC(C)(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(C(C)(C)C)cc3)cc(/C=C/c3cc(/C=C/c4cc(/C=C/c5ccc(C(C)(C)C)cc5)cc(/C=C/c5ccc(C(C)(C)C)cc5)c4)cc(CO)c3)c2)cc1.
What is the InChIKey of [3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol?
The InChIKey is FNVWCERXEVJISQ-KERSXIQOSA-N. The full InChI is InChI=1S/C71H76O/c1-68(2,3)64-33-25-51(26-34-64)13-17-55-41-56(18-14-52-27-35-65(36-28-52)69(4,5)6)44-59(43-55)21-23-61-47-62(49-63(48-61)50-72)24-22-60-45-57(19-15-53-29-37-66(38-30-53)70(7,8)9)42-58(46-60)20-16-54-31-39-67(40-32-54)71(10,11)12/h13-49,72H,50H2,1-12H3/b17-13+,18-14+,19-15+,20-16+,23-21+,24-22+.
What are the key properties of [3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol?
[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol has a molecular weight of 945.39 g/mol, XLogP of 19.39, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-tert-butylphenyl)ethenyl]phenyl]ethenyl]phenyl]methanol is sourced from PubChem (CID 59816802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).