1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene

C78H68 — CID 163829101

IUPAC1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene
SMILESCc1ccc(C(=Cc2cc(C=C(c3ccc(C)cc3)c3ccc(C)cc3)cc(/C=C\c3cc(C=C(c4ccc(C)cc4)c4ccc(C)cc4)cc(C=C(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C78H68/c1-53-9-27-67(28-10-53)75(68-29-11-54(2)12-30-68)49-63-43-61(44-64(47-63)50-76(69-31-13-55(3)14-32-69)70-33-15-56(4)16-34-70)25-26-62-45-65(51-77(71-35-17-57(5)18-36-71)72-37-19-58(6)20-38-72)48-66(46-62)52-78(73-39-21-59(7)22-40-73)74-41-23-60(8)24-42-74/h9-52H,1-8H3/b26-25-
InChIKeyOCDFVRDGLLITEK-QPLCGJKRSA-N
MW1005.40 g/mol
LogP20.68
Rot. Bonds14

About 1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene

1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene (PubChem CID 163829101) has the molecular formula C78H68 and a molecular weight of 1005.40 g/mol. Its IUPAC name is 1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene
PubChem CID163829101
Molecular FormulaC78H68
Molecular Weight1005.40 g/mol
Exact Mass1004.53
IUPAC Name1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene
SMILESCc1ccc(C(=Cc2cc(C=C(c3ccc(C)cc3)c3ccc(C)cc3)cc(/C=C\c3cc(C=C(c4ccc(C)cc4)c4ccc(C)cc4)cc(C=C(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C78H68/c1-53-9-27-67(28-10-53)75(68-29-11-54(2)12-30-68)49-63-43-61(44-64(47-63)50-76(69-31-13-55(3)14-32-69)70-33-15-56(4)16-34-70)25-26-62-45-65(51-77(71-35-17-57(5)18-36-71)72-37-19-58(6)20-38-72)48-66(46-62)52-78(73-39-21-59(7)22-40-73)74-41-23-60(8)24-42-74/h9-52H,1-8H3/b26-25-
InChIKeyOCDFVRDGLLITEK-QPLCGJKRSA-N
XLogP20.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.40
LogP ≤ 520.68
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-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene
CID 147683852
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]boronic acid
CID 141350757
4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 58665582
N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-4-methylaniline
CID 58665566
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N-[4-[2,2-bis(4-chlorophenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 71096918
1-[2-[2,2-bis(4-methylphenyl)ethenylsulfanyl]-1-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 175983739
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159829697
tetrakis[4-[2-[4-(4-methylphenyl)phenyl]-1-phenylethenyl]phenyl]germane
CID 154407148
4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline
CID 122467021
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene?
The IUPAC name of 1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene (CID 163829101) is 1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene is Cc1ccc(C(=Cc2cc(C=C(c3ccc(C)cc3)c3ccc(C)cc3)cc(/C=C\c3cc(C=C(c4ccc(C)cc4)c4ccc(C)cc4)cc(C=C(c4ccc(C)cc4)c4ccc(C)cc4)c3)c2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene?
The InChIKey is OCDFVRDGLLITEK-QPLCGJKRSA-N. The full InChI is InChI=1S/C78H68/c1-53-9-27-67(28-10-53)75(68-29-11-54(2)12-30-68)49-63-43-61(44-64(47-63)50-76(69-31-13-55(3)14-32-69)70-33-15-56(4)16-34-70)25-26-62-45-65(51-77(71-35-17-57(5)18-36-71)72-37-19-58(6)20-38-72)48-66(46-62)52-78(73-39-21-59(7)22-40-73)74-41-23-60(8)24-42-74/h9-52H,1-8H3/b26-25-.
What are the key properties of 1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene?
1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene has a molecular weight of 1005.40 g/mol, XLogP of 20.68, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-[3,5-bis[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]-3,5-bis[2,2-bis(4-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 163829101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).