4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde

C34H27NO — CID 59080163

IUPAC4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
SMILESCc1ccc(C(=Cc2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C34H27NO/c1-26-12-18-30(19-13-26)34(29-8-4-2-5-9-29)24-27-14-20-32(21-15-27)35(31-10-6-3-7-11-31)33-22-16-28(25-36)17-23-33/h2-25H,1H3
InChIKeyKBQRIOKDCLGJCK-UHFFFAOYSA-N
MW465.60 g/mol
LogP8.87
Rot. Bonds7

About 4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde

4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde (PubChem CID 59080163) has the molecular formula C34H27NO and a molecular weight of 465.60 g/mol. Its IUPAC name is 4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde.

Molecular Properties

Compound Name4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
PubChem CID59080163
Molecular FormulaC34H27NO
Molecular Weight465.60 g/mol
Exact Mass465.21
IUPAC Name4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
SMILESCc1ccc(C(=Cc2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C34H27NO/c1-26-12-18-30(19-13-26)34(29-8-4-2-5-9-29)24-27-14-20-32(21-15-27)35(31-10-6-3-7-11-31)33-22-16-28(25-36)17-23-33/h2-25H,1H3
InChIKeyKBQRIOKDCLGJCK-UHFFFAOYSA-N
XLogP8.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
3-[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]prop-2-enoic acid
CID 123770908
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;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 159829697
N-[(E)-[4-(N-[4-(2,2-diphenylethenyl)phenyl]anilino)phenyl]methylideneamino]-4-methyl-N-(4-methylphenyl)aniline
CID 172928570
1-[4-[N-(4-acetylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethanone
CID 91417911
N-[4-(2,2-diphenylethenyl)phenyl]-N,4-dimethylaniline
CID 14549602
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 157429569
(E)-3-[4-(N-[4-(2,2-diphenylethenyl)phenyl]-4-methylanilino)phenyl]-2-isocyanoprop-2-enoic acid
CID 59762714
N-[4-[2,2-bis(4-chlorophenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 71096918

Frequently Asked Questions

What is the IUPAC name of 4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde?
The IUPAC name of 4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde (CID 59080163) is 4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde.
What is the SMILES notation for 4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde?
The canonical SMILES for 4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde is Cc1ccc(C(=Cc2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde?
The InChIKey is KBQRIOKDCLGJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27NO/c1-26-12-18-30(19-13-26)34(29-8-4-2-5-9-29)24-27-14-20-32(21-15-27)35(31-10-6-3-7-11-31)33-22-16-28(25-36)17-23-33/h2-25H,1H3.
What are the key properties of 4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde?
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde has a molecular weight of 465.60 g/mol, XLogP of 8.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde is sourced from PubChem (CID 59080163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).