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

C32H26N2O2 — CID 22973932

IUPAC4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
SMILESCOc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)cc1
InChIInChI=1S/C32H26N2O2/c1-36-32-22-20-31(21-23-32)34(27-10-6-3-7-11-27)30-18-16-29(17-19-30)33(26-8-4-2-5-9-26)28-14-12-25(24-35)13-15-28/h2-24H,1H3
InChIKeyHJBJASLHWRANTQ-UHFFFAOYSA-N
MW470.57 g/mol
LogP8.45
Rot. Bonds8

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

4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde (PubChem CID 22973932) has the molecular formula C32H26N2O2 and a molecular weight of 470.57 g/mol. Its IUPAC name is 4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde.

Molecular Properties

Compound Name4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
PubChem CID22973932
Molecular FormulaC32H26N2O2
Molecular Weight470.57 g/mol
Exact Mass470.20
IUPAC Name4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
SMILESCOc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)cc1
InChIInChI=1S/C32H26N2O2/c1-36-32-22-20-31(21-23-32)34(27-10-6-3-7-11-27)30-18-16-29(17-19-30)33(26-8-4-2-5-9-26)28-14-12-25(24-35)13-15-28/h2-24H,1H3
InChIKeyHJBJASLHWRANTQ-UHFFFAOYSA-N
XLogP8.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
CID 58214212
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)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
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-[3-[4-[4-[3-(4-formylphenoxy)phenyl]-N-[4-[3-(4-methoxyphenoxy)phenyl]phenyl]anilino]phenyl]phenoxy]benzaldehyde
CID 87414261

Frequently Asked Questions

What is the IUPAC name of 4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde?
The IUPAC name of 4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde (CID 22973932) is 4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde.
What is the SMILES notation for 4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde?
The canonical SMILES for 4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde is COc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)cc1.
What is the InChIKey of 4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde?
The InChIKey is HJBJASLHWRANTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O2/c1-36-32-22-20-31(21-23-32)34(27-10-6-3-7-11-27)30-18-16-29(17-19-30)33(26-8-4-2-5-9-26)28-14-12-25(24-35)13-15-28/h2-24H,1H3.
What are the key properties of 4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde?
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde has a molecular weight of 470.57 g/mol, XLogP of 8.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde is sourced from PubChem (CID 22973932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).