4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde

C31H25NO — CID 88863583

IUPAC4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde
SMILESO=Cc1ccc(N(C2=CC=C(c3ccccc3)CC2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C31H25NO/c33-23-24-11-17-29(18-12-24)32(30-19-13-27(14-20-30)25-7-3-1-4-8-25)31-21-15-28(16-22-31)26-9-5-2-6-10-26/h1-15,17-21,23H,16,22H2
InChIKeyOURZSIOGMVPNFZ-UHFFFAOYSA-N
MW427.55 g/mol
LogP8.07
Rot. Bonds6

About 4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde

4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde (PubChem CID 88863583) has the molecular formula C31H25NO and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde.

Molecular Properties

Compound Name4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde
PubChem CID88863583
Molecular FormulaC31H25NO
Molecular Weight427.55 g/mol
Exact Mass427.19
IUPAC Name4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde
SMILESO=Cc1ccc(N(C2=CC=C(c3ccccc3)CC2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C31H25NO/c33-23-24-11-17-29(18-12-24)32(30-19-13-27(14-20-30)25-7-3-1-4-8-25)31-21-15-28(16-22-31)26-9-5-2-6-10-26/h1-15,17-21,23H,16,22H2
InChIKeyOURZSIOGMVPNFZ-UHFFFAOYSA-N
XLogP8.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-4-[4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 156569222
1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 89035334
4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
CID 59742159
4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 70822819
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde
CID 19981020
9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 145377441
N,4-diphenyl-N-[4-[4-[4-(N-(4-phenylnaphthalen-1-yl)anilino)phenyl]phenyl]cyclohexa-1,3-dien-1-yl]naphthalen-1-amine
CID 121384299
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde
CID 160992950
9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 126598546
N-cyclohexa-1,5-dien-1-yl-4-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 90939241
3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 163825477

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde?
The IUPAC name of 4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde (CID 88863583) is 4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde.
What is the SMILES notation for 4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde?
The canonical SMILES for 4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde is O=Cc1ccc(N(C2=CC=C(c3ccccc3)CC2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde?
The InChIKey is OURZSIOGMVPNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NO/c33-23-24-11-17-29(18-12-24)32(30-19-13-27(14-20-30)25-7-3-1-4-8-25)31-21-15-28(16-22-31)26-9-5-2-6-10-26/h1-15,17-21,23H,16,22H2.
What are the key properties of 4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde?
4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde has a molecular weight of 427.55 g/mol, XLogP of 8.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde is sourced from PubChem (CID 88863583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).