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

C44H36 — CID 160647587

IUPAC1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene
SMILESC=Cc1ccc(-c2ccc(-c3cccc(C=C)c3)cc2)cc1.C=Cc1ccc(-c2cccc(-c3ccc(C=C)cc3)c2)cc1
InChIInChI=1S/2C22H18/c1-3-17-8-12-19(13-9-17)21-6-5-7-22(16-21)20-14-10-18(4-2)11-15-20;1-3-17-8-10-19(11-9-17)20-12-14-21(15-13-20)22-7-5-6-18(4-2)16-22/h2*3-16H,1-2H2
InChIKeyRJZKGPGQIJNPOU-UHFFFAOYSA-N
MW564.77 g/mol
LogP12.61
Rot. Bonds8

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

1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene (PubChem CID 160647587) has the molecular formula C44H36 and a molecular weight of 564.77 g/mol. Its IUPAC name is 1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene
PubChem CID160647587
Molecular FormulaC44H36
Molecular Weight564.77 g/mol
Exact Mass564.28
IUPAC Name1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene
SMILESC=Cc1ccc(-c2ccc(-c3cccc(C=C)c3)cc2)cc1.C=Cc1ccc(-c2cccc(-c3ccc(C=C)cc3)c2)cc1
InChIInChI=1S/2C22H18/c1-3-17-8-12-19(13-9-17)21-6-5-7-22(16-21)20-14-10-18(4-2)11-15-20;1-3-17-8-10-19(11-9-17)20-12-14-21(15-13-20)22-7-5-6-18(4-2)16-22/h2*3-16H,1-2H2
InChIKeyRJZKGPGQIJNPOU-UHFFFAOYSA-N
XLogP12.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.77
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene?
The IUPAC name of 1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene (CID 160647587) is 1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene.
What is the SMILES notation for 1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene?
The canonical SMILES for 1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene is C=Cc1ccc(-c2ccc(-c3cccc(C=C)c3)cc2)cc1.C=Cc1ccc(-c2cccc(-c3ccc(C=C)cc3)c2)cc1.
What is the InChIKey of 1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene?
The InChIKey is RJZKGPGQIJNPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H18/c1-3-17-8-12-19(13-9-17)21-6-5-7-22(16-21)20-14-10-18(4-2)11-15-20;1-3-17-8-10-19(11-9-17)20-12-14-21(15-13-20)22-7-5-6-18(4-2)16-22/h2*3-16H,1-2H2.
What are the key properties of 1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene?
1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene has a molecular weight of 564.77 g/mol, XLogP of 12.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-ethenylphenyl)benzene;1-ethenyl-3-[4-(4-ethenylphenyl)phenyl]benzene is sourced from PubChem (CID 160647587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).