4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde

C45H33NO3 — CID 85434462

IUPAC4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde
SMILESO=Cc1ccc(C=Cc2ccc(N(c3ccc(C=Cc4ccc(C=O)cc4)cc3)c3ccc(C=Cc4ccc(C=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C45H33NO3/c47-31-40-13-7-34(8-14-40)1-4-37-19-25-43(26-20-37)46(44-27-21-38(22-28-44)5-2-35-9-15-41(32-48)16-10-35)45-29-23-39(24-30-45)6-3-36-11-17-42(33-49)18-12-36/h1-33H
InChIKeyDEDDWTRAIXDKRW-UHFFFAOYSA-N
MW635.76 g/mol
LogP11.11
Rot. Bonds12

About 4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde

4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde (PubChem CID 85434462) has the molecular formula C45H33NO3 and a molecular weight of 635.76 g/mol. Its IUPAC name is 4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde
PubChem CID85434462
Molecular FormulaC45H33NO3
Molecular Weight635.76 g/mol
Exact Mass635.25
IUPAC Name4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde
SMILESO=Cc1ccc(C=Cc2ccc(N(c3ccc(C=Cc4ccc(C=O)cc4)cc3)c3ccc(C=Cc4ccc(C=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C45H33NO3/c47-31-40-13-7-34(8-14-40)1-4-37-19-25-43(26-20-37)46(44-27-21-38(22-28-44)5-2-35-9-15-41(32-48)16-10-35)45-29-23-39(24-30-45)6-3-36-11-17-42(33-49)18-12-36/h1-33H
InChIKeyDEDDWTRAIXDKRW-UHFFFAOYSA-N
XLogP11.11
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.76
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
CID 59742159
(E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid
CID 132562716
4-[2-[4-[4-[2-(4-formylphenyl)ethynyl]-N-[4-[2-(4-formylphenyl)ethynyl]phenyl]anilino]phenyl]ethynyl]benzaldehyde
CID 11399437
4-[4-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-N-[4-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]phenyl]anilino]benzaldehyde
CID 139258657
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-(4-formyl-N-(4-formylphenyl)anilino)benzoic acid
CID 87579958
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
2,5-bis[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]terephthalaldehyde
CID 44557741
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde?
The IUPAC name of 4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde (CID 85434462) is 4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde.
What is the SMILES notation for 4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde?
The canonical SMILES for 4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde is O=Cc1ccc(C=Cc2ccc(N(c3ccc(C=Cc4ccc(C=O)cc4)cc3)c3ccc(C=Cc4ccc(C=O)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde?
The InChIKey is DEDDWTRAIXDKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NO3/c47-31-40-13-7-34(8-14-40)1-4-37-19-25-43(26-20-37)46(44-27-21-38(22-28-44)5-2-35-9-15-41(32-48)16-10-35)45-29-23-39(24-30-45)6-3-36-11-17-42(33-49)18-12-36/h1-33H.
What are the key properties of 4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde?
4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde has a molecular weight of 635.76 g/mol, XLogP of 11.11, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-[2-(4-formylphenyl)ethenyl]-N-[4-[2-(4-formylphenyl)ethenyl]phenyl]anilino]phenyl]ethenyl]benzaldehyde is sourced from PubChem (CID 85434462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).