4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane

C43H42N2O4 — CID 123717319

IUPAC4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
SMILESCCC.COc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1.O=Cc1ccc(N(c2ccccc2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C20H19NO2.C20H15NO2.C3H8/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18;22-14-16-6-10-19(11-7-16)21(18-4-2-1-3-5-18)20-12-8-17(15-23)9-13-20;1-3-2/h3-15H,1-2H3;1-15H;3H2,1-2H3
InChIKeyZWJLNZPOMWOSBO-UHFFFAOYSA-N
MW650.82 g/mol
LogP11.37
Rot. Bonds10

About 4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane

4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane (PubChem CID 123717319) has the molecular formula C43H42N2O4 and a molecular weight of 650.82 g/mol. Its IUPAC name is 4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane.

Molecular Properties

Compound Name4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
PubChem CID123717319
Molecular FormulaC43H42N2O4
Molecular Weight650.82 g/mol
Exact Mass650.31
IUPAC Name4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
SMILESCCC.COc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1.O=Cc1ccc(N(c2ccccc2)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C20H19NO2.C20H15NO2.C3H8/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18;22-14-16-6-10-19(11-7-16)21(18-4-2-1-3-5-18)20-12-8-17(15-23)9-13-20;1-3-2/h3-15H,1-2H3;1-15H;3H2,1-2H3
InChIKeyZWJLNZPOMWOSBO-UHFFFAOYSA-N
XLogP11.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.82
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
CID 58214212
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-methoxybenzaldehyde;toluene
CID 174462701
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
3-(N-[4-[4-(N-(3-methoxyphenyl)anilino)-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]anilino]phenyl]anilino)benzaldehyde
CID 126595640
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
fluorobenzene;4-methoxybenzaldehyde
CID 175119443
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde
CID 20580224

Frequently Asked Questions

What is the IUPAC name of 4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane?
The IUPAC name of 4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane (CID 123717319) is 4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane.
What is the SMILES notation for 4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane?
The canonical SMILES for 4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane is CCC.COc1ccc(N(c2ccccc2)c2ccc(OC)cc2)cc1.O=Cc1ccc(N(c2ccccc2)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane?
The InChIKey is ZWJLNZPOMWOSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2.C20H15NO2.C3H8/c1-22-19-12-8-17(9-13-19)21(16-6-4-3-5-7-16)18-10-14-20(23-2)15-11-18;22-14-16-6-10-19(11-7-16)21(18-4-2-1-3-5-18)20-12-8-17(15-23)9-13-20;1-3-2/h3-15H,1-2H3;1-15H;3H2,1-2H3.
What are the key properties of 4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane?
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane has a molecular weight of 650.82 g/mol, XLogP of 11.37, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane is sourced from PubChem (CID 123717319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).