4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde

C39H27NO3 — CID 59742159

IUPAC4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C=O)cc4)cc3)c3ccc(-c4ccc(C=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H27NO3/c41-25-28-1-7-31(8-2-28)34-13-19-37(20-14-34)40(38-21-15-35(16-22-38)32-9-3-29(26-42)4-10-32)39-23-17-36(18-24-39)33-11-5-30(27-43)6-12-33/h1-27H
InChIKeyRUWJZPXZOWJEFW-UHFFFAOYSA-N
MW557.65 g/mol
LogP9.59
Rot. Bonds9

About 4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde

4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde (PubChem CID 59742159) has the molecular formula C39H27NO3 and a molecular weight of 557.65 g/mol. Its IUPAC name is 4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
PubChem CID59742159
Molecular FormulaC39H27NO3
Molecular Weight557.65 g/mol
Exact Mass557.20
IUPAC Name4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C=O)cc4)cc3)c3ccc(-c4ccc(C=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H27NO3/c41-25-28-1-7-31(8-2-28)34-13-19-37(20-14-34)40(38-21-15-35(16-22-38)32-9-3-29(26-42)4-10-32)39-23-17-36(18-24-39)33-11-5-30(27-43)6-12-33/h1-27H
InChIKeyRUWJZPXZOWJEFW-UHFFFAOYSA-N
XLogP9.59
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.65
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde?
The IUPAC name of 4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde (CID 59742159) is 4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde.
What is the SMILES notation for 4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde?
The canonical SMILES for 4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde is O=Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C=O)cc4)cc3)c3ccc(-c4ccc(C=O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde?
The InChIKey is RUWJZPXZOWJEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27NO3/c41-25-28-1-7-31(8-2-28)34-13-19-37(20-14-34)40(38-21-15-35(16-22-38)32-9-3-29(26-42)4-10-32)39-23-17-36(18-24-39)33-11-5-30(27-43)6-12-33/h1-27H.
What are the key properties of 4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde?
4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde has a molecular weight of 557.65 g/mol, XLogP of 9.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde is sourced from PubChem (CID 59742159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).