2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene

C44H34 — CID 71373696

IUPAC2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene
SMILESC(=Cc1ccc(C=Cc2ccccc2)c(-c2cc(C=Cc3ccccc3)ccc2C=Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C44H34/c1-5-13-35(14-6-1)21-23-39-27-31-41(29-25-37-17-9-3-10-18-37)43(33-39)44-34-40(24-22-36-15-7-2-8-16-36)28-32-42(44)30-26-38-19-11-4-12-20-38/h1-34H
InChIKeyAPOMEJNBNDDWGO-UHFFFAOYSA-N
MW562.76 g/mol
LogP12.04
Rot. Bonds9

About 2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene

2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene (PubChem CID 71373696) has the molecular formula C44H34 and a molecular weight of 562.76 g/mol. Its IUPAC name is 2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene.

Molecular Properties

Compound Name2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene
PubChem CID71373696
Molecular FormulaC44H34
Molecular Weight562.76 g/mol
Exact Mass562.27
IUPAC Name2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene
SMILESC(=Cc1ccc(C=Cc2ccccc2)c(-c2cc(C=Cc3ccccc3)ccc2C=Cc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C44H34/c1-5-13-35(14-6-1)21-23-39-27-31-41(29-25-37-17-9-3-10-18-37)43(33-39)44-34-40(24-22-36-15-7-2-8-16-36)28-32-42(44)30-26-38-19-11-4-12-20-38/h1-34H
InChIKeyAPOMEJNBNDDWGO-UHFFFAOYSA-N
XLogP12.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.76
LogP ≤ 512.04
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

3-[5-hydroxy-2-(2-phenylethenyl)phenyl]-4-(2-phenylethenyl)phenol
CID 68866256
2-(2-formylphenyl)-4-(2-phenylethenyl)benzaldehyde
CID 88602472
1-[(E)-2-phenylethenyl]-3-[3-[(E)-2-phenylethenyl]azulen-1-yl]azulene
CID 11167038
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
CID 70569152
CID 70569152
CID 70567885
CID 70567885
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
2,4-dichloro-1-(2-phenylethenyl)benzene
CID 66779322
ethene;1-phenyl-2-(2-phenylethenyl)benzene;hydrobromide
CID 174914865
2,4-dimethyl-1-[(E)-2-phenylethenyl]benzene
CID 15751246
2-chloro-4-phenyl-6-[(E)-2-phenylethenyl]quinoline
CID 156809469

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene?
The IUPAC name of 2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene (CID 71373696) is 2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene.
What is the SMILES notation for 2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene?
The canonical SMILES for 2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene is C(=Cc1ccc(C=Cc2ccccc2)c(-c2cc(C=Cc3ccccc3)ccc2C=Cc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene?
The InChIKey is APOMEJNBNDDWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34/c1-5-13-35(14-6-1)21-23-39-27-31-41(29-25-37-17-9-3-10-18-37)43(33-39)44-34-40(24-22-36-15-7-2-8-16-36)28-32-42(44)30-26-38-19-11-4-12-20-38/h1-34H.
What are the key properties of 2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene?
2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene has a molecular weight of 562.76 g/mol, XLogP of 12.04, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(2-phenylethenyl)phenyl]-1,4-bis(2-phenylethenyl)benzene is sourced from PubChem (CID 71373696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).