1,2-bis[2-(2-phenylphenyl)ethenyl]benzene

C34H26 — CID 141477153

IUPAC1,2-bis[2-(2-phenylphenyl)ethenyl]benzene
SMILESC(=Cc1ccccc1-c1ccccc1)c1ccccc1C=Cc1ccccc1-c1ccccc1
InChIInChI=1S/C34H26/c1-3-15-29(16-4-1)33-21-11-9-19-31(33)25-23-27-13-7-8-14-28(27)24-26-32-20-10-12-22-34(32)30-17-5-2-6-18-30/h1-26H
InChIKeyNUCYLKIYUPOARN-UHFFFAOYSA-N
MW434.58 g/mol
LogP9.36
Rot. Bonds6

About 1,2-bis[2-(2-phenylphenyl)ethenyl]benzene

1,2-bis[2-(2-phenylphenyl)ethenyl]benzene (PubChem CID 141477153) has the molecular formula C34H26 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1,2-bis[2-(2-phenylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,2-bis[2-(2-phenylphenyl)ethenyl]benzene
PubChem CID141477153
Molecular FormulaC34H26
Molecular Weight434.58 g/mol
Exact Mass434.20
IUPAC Name1,2-bis[2-(2-phenylphenyl)ethenyl]benzene
SMILESC(=Cc1ccccc1-c1ccccc1)c1ccccc1C=Cc1ccccc1-c1ccccc1
InChIInChI=1S/C34H26/c1-3-15-29(16-4-1)33-21-11-9-19-31(33)25-23-27-13-7-8-14-28(27)24-26-32-20-10-12-22-34(32)30-17-5-2-6-18-30/h1-26H
InChIKeyNUCYLKIYUPOARN-UHFFFAOYSA-N
XLogP9.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-(2-phenylphenyl)ethenyl]benzene?
The IUPAC name of 1,2-bis[2-(2-phenylphenyl)ethenyl]benzene (CID 141477153) is 1,2-bis[2-(2-phenylphenyl)ethenyl]benzene.
What is the SMILES notation for 1,2-bis[2-(2-phenylphenyl)ethenyl]benzene?
The canonical SMILES for 1,2-bis[2-(2-phenylphenyl)ethenyl]benzene is C(=Cc1ccccc1-c1ccccc1)c1ccccc1C=Cc1ccccc1-c1ccccc1.
What is the InChIKey of 1,2-bis[2-(2-phenylphenyl)ethenyl]benzene?
The InChIKey is NUCYLKIYUPOARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26/c1-3-15-29(16-4-1)33-21-11-9-19-31(33)25-23-27-13-7-8-14-28(27)24-26-32-20-10-12-22-34(32)30-17-5-2-6-18-30/h1-26H.
What are the key properties of 1,2-bis[2-(2-phenylphenyl)ethenyl]benzene?
1,2-bis[2-(2-phenylphenyl)ethenyl]benzene has a molecular weight of 434.58 g/mol, XLogP of 9.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-(2-phenylphenyl)ethenyl]benzene is sourced from PubChem (CID 141477153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).