1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene

C52H52 — CID 175399717

IUPAC1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene
SMILESC=Cc1ccc(CCc2cccc(CCc3cccc(C=C)c3)c2)cc1.C=Cc1cccc(CCc2ccc(CCc3cccc(C=C)c3)cc2)c1
InChIInChI=1S/2C26H26/c1-3-21-7-5-9-25(19-21)17-15-23-11-13-24(14-12-23)16-18-26-10-6-8-22(4-2)20-26;1-3-21-11-13-23(14-12-21)15-16-25-9-6-10-26(20-25)18-17-24-8-5-7-22(4-2)19-24/h2*3-14,19-20H,1-2,15-18H2
InChIKeyAZPXOJBCNPEZNT-UHFFFAOYSA-N
MW676.99 g/mol
LogP13.09
Rot. Bonds16

About 1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene

1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene (PubChem CID 175399717) has the molecular formula C52H52 and a molecular weight of 676.99 g/mol. Its IUPAC name is 1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene.

Molecular Properties

Compound Name1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene
PubChem CID175399717
Molecular FormulaC52H52
Molecular Weight676.99 g/mol
Exact Mass676.41
IUPAC Name1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene
SMILESC=Cc1ccc(CCc2cccc(CCc3cccc(C=C)c3)c2)cc1.C=Cc1cccc(CCc2ccc(CCc3cccc(C=C)c3)cc2)c1
InChIInChI=1S/2C26H26/c1-3-21-7-5-9-25(19-21)17-15-23-11-13-24(14-12-23)16-18-26-10-6-8-22(4-2)20-26;1-3-21-11-13-23(14-12-21)15-16-25-9-6-10-26(20-25)18-17-24-8-5-7-22(4-2)19-24/h2*3-14,19-20H,1-2,15-18H2
InChIKeyAZPXOJBCNPEZNT-UHFFFAOYSA-N
XLogP13.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.99
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis[2-(4-ethenylphenyl)ethyl]benzene
CID 20738929
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CID 91200175
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CID 159346927
2-[2-(3-ethenylphenyl)ethyl]oxirane
CID 54340716
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
1,4-bis[2-(3-ethenylphenyl)ethyl]-1,4-dimethylpyrazine-1,4-diium
CID 135291635
N-[2-(3-ethenylphenyl)ethyl]-N-propylpropan-1-amine
CID 66742904
2-(3-ethenylphenyl)-N,N-bis(trimethylsilyl)ethanamine
CID 22600308
O-[(3-ethenylphenyl)methyl]hydroxylamine
CID 100921787
1-ethenyl-3-(3-propylphenyl)benzene
CID 90994074
1,2-bis(ethenyl)benzene;1,3-bis(ethenyl)benzene;1,4-bis(ethenyl)benzene;1-ethenyl-4-ethylbenzene
CID 137319863
N,N'-bis[(3-ethenylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 173235570

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene?
The IUPAC name of 1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene (CID 175399717) is 1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene.
What is the SMILES notation for 1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene?
The canonical SMILES for 1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene is C=Cc1ccc(CCc2cccc(CCc3cccc(C=C)c3)c2)cc1.C=Cc1cccc(CCc2ccc(CCc3cccc(C=C)c3)cc2)c1.
What is the InChIKey of 1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene?
The InChIKey is AZPXOJBCNPEZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H26/c1-3-21-7-5-9-25(19-21)17-15-23-11-13-24(14-12-23)16-18-26-10-6-8-22(4-2)20-26;1-3-21-11-13-23(14-12-21)15-16-25-9-6-10-26(20-25)18-17-24-8-5-7-22(4-2)19-24/h2*3-14,19-20H,1-2,15-18H2.
What are the key properties of 1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene?
1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene has a molecular weight of 676.99 g/mol, XLogP of 13.09, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(3-ethenylphenyl)ethyl]benzene;1-ethenyl-4-[2-[3-[2-(3-ethenylphenyl)ethyl]phenyl]ethyl]benzene is sourced from PubChem (CID 175399717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).