1,4-bis(1,2,2-triphenylethenyl)benzene

C46H34 — CID 71341225

IUPAC1,4-bis(1,2,2-triphenylethenyl)benzene
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C46H34/c1-7-19-35(20-8-1)43(36-21-9-2-10-22-36)45(39-27-15-5-16-28-39)41-31-33-42(34-32-41)46(40-29-17-6-18-30-40)44(37-23-11-3-12-24-37)38-25-13-4-14-26-38/h1-34H
InChIKeyJPZVDFIVMYLKOB-UHFFFAOYSA-N
MW586.78 g/mol
LogP11.70
Rot. Bonds8

About 1,4-bis(1,2,2-triphenylethenyl)benzene

1,4-bis(1,2,2-triphenylethenyl)benzene (PubChem CID 71341225) has the molecular formula C46H34 and a molecular weight of 586.78 g/mol. Its IUPAC name is 1,4-bis(1,2,2-triphenylethenyl)benzene.

Molecular Properties

Compound Name1,4-bis(1,2,2-triphenylethenyl)benzene
PubChem CID71341225
Molecular FormulaC46H34
Molecular Weight586.78 g/mol
Exact Mass586.27
IUPAC Name1,4-bis(1,2,2-triphenylethenyl)benzene
SMILESc1ccc(C(=C(c2ccccc2)c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C46H34/c1-7-19-35(20-8-1)43(36-21-9-2-10-22-36)45(39-27-15-5-16-28-39)41-31-33-42(34-32-41)46(40-29-17-6-18-30-40)44(37-23-11-3-12-24-37)38-25-13-4-14-26-38/h1-34H
InChIKeyJPZVDFIVMYLKOB-UHFFFAOYSA-N
XLogP11.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.78
LogP ≤ 511.70
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 1,4-bis(1,2,2-triphenylethenyl)benzene?
The IUPAC name of 1,4-bis(1,2,2-triphenylethenyl)benzene (CID 71341225) is 1,4-bis(1,2,2-triphenylethenyl)benzene.
What is the SMILES notation for 1,4-bis(1,2,2-triphenylethenyl)benzene?
The canonical SMILES for 1,4-bis(1,2,2-triphenylethenyl)benzene is c1ccc(C(=C(c2ccccc2)c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 1,4-bis(1,2,2-triphenylethenyl)benzene?
The InChIKey is JPZVDFIVMYLKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34/c1-7-19-35(20-8-1)43(36-21-9-2-10-22-36)45(39-27-15-5-16-28-39)41-31-33-42(34-32-41)46(40-29-17-6-18-30-40)44(37-23-11-3-12-24-37)38-25-13-4-14-26-38/h1-34H.
What are the key properties of 1,4-bis(1,2,2-triphenylethenyl)benzene?
1,4-bis(1,2,2-triphenylethenyl)benzene has a molecular weight of 586.78 g/mol, XLogP of 11.70, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(1,2,2-triphenylethenyl)benzene is sourced from PubChem (CID 71341225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).