N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline

C38H33N — CID 89189838

IUPACN-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline
SMILESC1=CCC(N(C2=CCCC=C2)c2ccc(/C=C/c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)C=C1
InChIInChI=1S/C38H33N/c1-4-10-32(11-5-1)34-24-26-35(27-25-34)33-22-18-30(19-23-33)16-17-31-20-28-38(29-21-31)39(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-2,4-8,10-12,14-29,36H,3,9,13H2/b17-16+
InChIKeyUXXBJMALBCVNDI-WUKNDPDISA-N
MW503.69 g/mol
LogP10.12
Rot. Bonds7

About N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline

N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline (PubChem CID 89189838) has the molecular formula C38H33N and a molecular weight of 503.69 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline
PubChem CID89189838
Molecular FormulaC38H33N
Molecular Weight503.69 g/mol
Exact Mass503.26
IUPAC NameN-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline
SMILESC1=CCC(N(C2=CCCC=C2)c2ccc(/C=C/c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)C=C1
InChIInChI=1S/C38H33N/c1-4-10-32(11-5-1)34-24-26-35(27-25-34)33-22-18-30(19-23-33)16-17-31-20-28-38(29-21-31)39(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-2,4-8,10-12,14-29,36H,3,9,13H2/b17-16+
InChIKeyUXXBJMALBCVNDI-WUKNDPDISA-N
XLogP10.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N-cyclohexa-2,4-dien-1-yl-4-N,4-N-diphenyl-1-N-[4-[4-(N-[4-(N-phenylanilino)cyclohexa-2,4-dien-1-yl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 143746563
N-[4-[4-[4-[4-[cyclohexa-2,4-dien-1-yl-(4-phenylcyclohexa-1,5-dien-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-phenylaniline
CID 155274085
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]aniline
CID 144687013
1-N-cyclohexa-2,4-dien-1-yl-4-N-[4-(N-cyclohexa-1,5-dien-1-yl-3-methylanilino)phenyl]-1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 140938297
N-cyclohexa-2,4-dien-1-yl-4-[5-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-4-diphenoxyphosphorylthiophen-2-yl]-N-phenylaniline;bis(prop-1-ene)
CID 143308518
N-cyclohexa-2,4-dien-1-yl-9,9-diethyl-N-phenyl-7-[(E)-2-[4-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]ethenyl]fluoren-2-amine
CID 89067131
N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
N-cyclohexa-2,4-dien-1-yl-N-phenyl-4-[10-[4-(N-phenylanilino)phenyl]-3,4-dihydroanthracen-9-yl]aniline
CID 71012747
9-(4-chlorophenyl)-N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4a,9b-dihydrodibenzofuran-3-amine
CID 138529892
N-cyclohexa-2,4-dien-1-yl-N-[4-(3,4-dihydronaphthalen-1-yl)phenyl]-2-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 166978725
N-cyclohexa-2,4-dien-1-yl-N-methylaniline
CID 15822281
N-[6-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-2-pyridinyl]-6-phenylpyridin-2-amine
CID 90070851

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline (CID 89189838) is N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline is C1=CCC(N(C2=CCCC=C2)c2ccc(/C=C/c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)cc2)C=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline?
The InChIKey is UXXBJMALBCVNDI-WUKNDPDISA-N. The full InChI is InChI=1S/C38H33N/c1-4-10-32(11-5-1)34-24-26-35(27-25-34)33-22-18-30(19-23-33)16-17-31-20-28-38(29-21-31)39(36-12-6-2-7-13-36)37-14-8-3-9-15-37/h1-2,4-8,10-12,14-29,36H,3,9,13H2/b17-16+.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline?
N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline has a molecular weight of 503.69 g/mol, XLogP of 10.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline is sourced from PubChem (CID 89189838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).