1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene

C66H48 — CID 102365334

IUPAC1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(/C(=C(\c3ccccc3)c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C66H48/c1-9-25-49(26-10-1)61(50-27-11-2-12-28-50)63(53-33-17-5-18-34-53)57-41-45-59(46-42-57)65(55-37-21-7-22-38-55)66(56-39-23-8-24-40-56)60-47-43-58(44-48-60)64(54-35-19-6-20-36-54)62(51-29-13-3-14-30-51)52-31-15-4-16-32-52/h1-48H/b66-65+
InChIKeyAVHNCDVCAUEODO-AZGLQUJLSA-N
MW841.11 g/mol
LogP16.71
Rot. Bonds12

About 1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene

1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene (PubChem CID 102365334) has the molecular formula C66H48 and a molecular weight of 841.11 g/mol. Its IUPAC name is 1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene.

Molecular Properties

Compound Name1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene
PubChem CID102365334
Molecular FormulaC66H48
Molecular Weight841.11 g/mol
Exact Mass840.38
IUPAC Name1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(/C(=C(\c3ccccc3)c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C66H48/c1-9-25-49(26-10-1)61(50-27-11-2-12-28-50)63(53-33-17-5-18-34-53)57-41-45-59(46-42-57)65(55-37-21-7-22-38-55)66(56-39-23-8-24-40-56)60-47-43-58(44-48-60)64(54-35-19-6-20-36-54)62(51-29-13-3-14-30-51)52-31-15-4-16-32-52/h1-48H/b66-65+
InChIKeyAVHNCDVCAUEODO-AZGLQUJLSA-N
XLogP16.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.11
LogP ≤ 516.71
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-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene?
The IUPAC name of 1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene (CID 102365334) is 1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene.
What is the SMILES notation for 1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene?
The canonical SMILES for 1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene is c1ccc(C(=C(c2ccccc2)c2ccc(/C(=C(\c3ccccc3)c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)c3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene?
The InChIKey is AVHNCDVCAUEODO-AZGLQUJLSA-N. The full InChI is InChI=1S/C66H48/c1-9-25-49(26-10-1)61(50-27-11-2-12-28-50)63(53-33-17-5-18-34-53)57-41-45-59(46-42-57)65(55-37-21-7-22-38-55)66(56-39-23-8-24-40-56)60-47-43-58(44-48-60)64(54-35-19-6-20-36-54)62(51-29-13-3-14-30-51)52-31-15-4-16-32-52/h1-48H/b66-65+.
What are the key properties of 1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene?
1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene has a molecular weight of 841.11 g/mol, XLogP of 16.71, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]ethenyl]-4-(1,2,2-triphenylethenyl)benzene is sourced from PubChem (CID 102365334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).