1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene

C64H50 — CID 163853364

IUPAC1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene
SMILESC(=C\c1ccccc1/C=C(/c1ccccc1)c1ccc(Cc2ccccc2)cc1)\c1ccccc1/C=C\c1ccccc1/C=C(/c1ccccc1)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C64H50/c1-5-19-49(20-6-1)45-51-33-37-59(38-34-51)63(57-27-9-3-10-28-57)47-61-31-17-15-25-55(61)43-41-53-23-13-14-24-54(53)42-44-56-26-16-18-32-62(56)48-64(58-29-11-4-12-30-58)60-39-35-52(36-40-60)46-50-21-7-2-8-22-50/h1-44,47-48H,45-46H2/b43-41-,44-42-,63-47-,64-48-
InChIKeyOWGIZGSYJVIXEV-UOADOHIYSA-N
MW819.10 g/mol
LogP16.39
Rot. Bonds14

About 1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene

1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene (PubChem CID 163853364) has the molecular formula C64H50 and a molecular weight of 819.10 g/mol. Its IUPAC name is 1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene
PubChem CID163853364
Molecular FormulaC64H50
Molecular Weight819.10 g/mol
Exact Mass818.39
IUPAC Name1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene
SMILESC(=C\c1ccccc1/C=C(/c1ccccc1)c1ccc(Cc2ccccc2)cc1)\c1ccccc1/C=C\c1ccccc1/C=C(/c1ccccc1)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C64H50/c1-5-19-49(20-6-1)45-51-33-37-59(38-34-51)63(57-27-9-3-10-28-57)47-61-31-17-15-25-55(61)43-41-53-23-13-14-24-54(53)42-44-56-26-16-18-32-62(56)48-64(58-29-11-4-12-30-58)60-39-35-52(36-40-60)46-50-21-7-2-8-22-50/h1-44,47-48H,45-46H2/b43-41-,44-42-,63-47-,64-48-
InChIKeyOWGIZGSYJVIXEV-UOADOHIYSA-N
XLogP16.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.10
LogP ≤ 516.39
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

1,4-bis[2-[2-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene
CID 59119989
1,2-bis[2-[2-[(Z)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 160707520
2-[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]-3-[(Z)-2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]anthracene
CID 163869385
2,3-bis[2-[2-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]anthracene
CID 59120066
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981
2-[1-phenyl-2-[2-[2-[2-[2-[2-(2-phenyl-2-thiophen-2-ylethenyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]thiophene
CID 59120118
2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene
CID 163905286
phenyl(113C)methylbenzene
CID 11194569
1,4-bis[2-[4-[2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]-2,3,5,6-tetramethylbenzene;1,4-bis[2-[2-(2,2-diphenylethenyl)phenyl]ethenyl]benzene;1-[2-[4-[2,2-bis(4-phenylphenyl)ethenyl]phenyl]ethenyl]-4-[2-[4-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-(4-phenylphenyl)ethenyl]phenyl]ethenyl]-2,3,5,6-tetramethylbenzene;1,3,5-tris[2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 161452996
2-(2,2-diphenylethenyl)aniline
CID 18963673
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene?
The IUPAC name of 1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene (CID 163853364) is 1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene is C(=C\c1ccccc1/C=C(/c1ccccc1)c1ccc(Cc2ccccc2)cc1)\c1ccccc1/C=C\c1ccccc1/C=C(/c1ccccc1)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene?
The InChIKey is OWGIZGSYJVIXEV-UOADOHIYSA-N. The full InChI is InChI=1S/C64H50/c1-5-19-49(20-6-1)45-51-33-37-59(38-34-51)63(57-27-9-3-10-28-57)47-61-31-17-15-25-55(61)43-41-53-23-13-14-24-54(53)42-44-56-26-16-18-32-62(56)48-64(58-29-11-4-12-30-58)60-39-35-52(36-40-60)46-50-21-7-2-8-22-50/h1-44,47-48H,45-46H2/b43-41-,44-42-,63-47-,64-48-.
What are the key properties of 1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene?
1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene has a molecular weight of 819.10 g/mol, XLogP of 16.39, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(Z)-2-[2-[(Z)-2-(4-benzylphenyl)-2-phenylethenyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 163853364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).