4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde

C41H34N2O4 — CID 58214212

IUPAC4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
SMILESCOc1ccc(N(c2ccc(Cc3ccc(N(c4ccc(C=O)cc4)c4ccc(C=O)cc4)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C41H34N2O4/c1-46-40-23-19-38(20-24-40)43(39-21-25-41(47-2)26-22-39)35-13-5-31(6-14-35)27-30-3-11-34(12-4-30)42(36-15-7-32(28-44)8-16-36)37-17-9-33(29-45)10-18-37/h3-26,28-29H,27H2,1-2H3
InChIKeyMVBSYZKSPSUYES-UHFFFAOYSA-N
MW618.73 g/mol
LogP9.86
Rot. Bonds12

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

4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde (PubChem CID 58214212) has the molecular formula C41H34N2O4 and a molecular weight of 618.73 g/mol. Its IUPAC name is 4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde.

Molecular Properties

Compound Name4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
PubChem CID58214212
Molecular FormulaC41H34N2O4
Molecular Weight618.73 g/mol
Exact Mass618.25
IUPAC Name4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
SMILESCOc1ccc(N(c2ccc(Cc3ccc(N(c4ccc(C=O)cc4)c4ccc(C=O)cc4)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C41H34N2O4/c1-46-40-23-19-38(20-24-40)43(39-21-25-41(47-2)26-22-39)35-13-5-31(6-14-35)27-30-3-11-34(12-4-30)42(36-15-7-32(28-44)8-16-36)37-17-9-33(29-45)10-18-37/h3-26,28-29H,27H2,1-2H3
InChIKeyMVBSYZKSPSUYES-UHFFFAOYSA-N
XLogP9.86
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.73
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde with MolForge

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Related Compounds

4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
4-[N-(3,4-dimethylphenyl)-4-[2-[4-(N-(3,4-dimethylphenyl)-4-methoxyanilino)phenyl]ethyl]anilino]benzaldehyde
CID 89418016
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
(4-formylphenyl) 2-(4-methoxyphenyl)acetate
CID 39199740
4-[3-[4-[4-[3-(4-formylphenoxy)phenyl]-N-[4-[3-(4-methoxyphenoxy)phenyl]phenyl]anilino]phenyl]phenoxy]benzaldehyde
CID 87414261
4-(N-[4-[2-[6-[2-[4-(N-(4-ethoxyphenyl)-4-methoxyanilino)phenyl]ethenyl]anthracen-2-yl]ethenyl]phenyl]-4-methylanilino)benzaldehyde
CID 59905392
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)anilino]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58325614
[4-[4-(hydroxymethyl)-N-[4-[(Z)-1-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-[(E)-2-[4-[4-(hydroxymethyl)-N-(4-methoxyphenyl)anilino]phenyl]-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol
CID 159978372
6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde
CID 80638947

Frequently Asked Questions

What is the IUPAC name of 4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde?
The IUPAC name of 4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde (CID 58214212) is 4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde.
What is the SMILES notation for 4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde?
The canonical SMILES for 4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde is COc1ccc(N(c2ccc(Cc3ccc(N(c4ccc(C=O)cc4)c4ccc(C=O)cc4)cc3)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde?
The InChIKey is MVBSYZKSPSUYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N2O4/c1-46-40-23-19-38(20-24-40)43(39-21-25-41(47-2)26-22-39)35-13-5-31(6-14-35)27-30-3-11-34(12-4-30)42(36-15-7-32(28-44)8-16-36)37-17-9-33(29-45)10-18-37/h3-26,28-29H,27H2,1-2H3.
What are the key properties of 4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde?
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde has a molecular weight of 618.73 g/mol, XLogP of 9.86, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde is sourced from PubChem (CID 58214212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).