4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde

C35H27NO — CID 163697642

IUPAC4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde
SMILESO=Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C35H27NO/c37-27-30-20-24-34(25-21-30)36(26-35(31-12-6-2-7-13-31)32-14-8-3-9-15-32)33-22-18-29(19-23-33)17-16-28-10-4-1-5-11-28/h1-27H/b17-16+
InChIKeyJYGRUXHGSJGRHC-WUKNDPDISA-N
MW477.61 g/mol
LogP8.90
Rot. Bonds8

About 4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde

4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde (PubChem CID 163697642) has the molecular formula C35H27NO and a molecular weight of 477.61 g/mol. Its IUPAC name is 4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde.

Molecular Properties

Compound Name4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde
PubChem CID163697642
Molecular FormulaC35H27NO
Molecular Weight477.61 g/mol
Exact Mass477.21
IUPAC Name4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde
SMILESO=Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C35H27NO/c37-27-30-20-24-34(25-21-30)36(26-35(31-12-6-2-7-13-31)32-14-8-3-9-15-32)33-22-18-29(19-23-33)17-16-28-10-4-1-5-11-28/h1-27H/b17-16+
InChIKeyJYGRUXHGSJGRHC-WUKNDPDISA-N
XLogP8.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde?
The IUPAC name of 4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde (CID 163697642) is 4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde.
What is the SMILES notation for 4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde?
The canonical SMILES for 4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde is O=Cc1ccc(N(C=C(c2ccccc2)c2ccccc2)c2ccc(/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde?
The InChIKey is JYGRUXHGSJGRHC-WUKNDPDISA-N. The full InChI is InChI=1S/C35H27NO/c37-27-30-20-24-34(25-21-30)36(26-35(31-12-6-2-7-13-31)32-14-8-3-9-15-32)33-22-18-29(19-23-33)17-16-28-10-4-1-5-11-28/h1-27H/b17-16+.
What are the key properties of 4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde?
4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde has a molecular weight of 477.61 g/mol, XLogP of 8.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(2,2-diphenylethenyl)-4-[(E)-2-phenylethenyl]anilino]benzaldehyde is sourced from PubChem (CID 163697642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).