3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide

C56H53N3O — CID 145193521

IUPAC3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide
SMILESC=C(Cc1ccc(NC(=C)c2cc(C(=C)Nc3ccc(CC(=C)c4ccccc4)cc3)cc(C(=O)Nc3ccc(CC(=C)C4=CCCC=C4)cc3)c2)cc1)C1=CCCC=C1
InChIInChI=1S/C56H53N3O/c1-39(47-15-9-6-10-16-47)33-44-21-27-53(28-22-44)57-42(4)50-36-51(43(5)58-54-29-23-45(24-30-54)34-40(2)48-17-11-7-12-18-48)38-52(37-50)56(60)59-55-31-25-46(26-32-55)35-41(3)49-19-13-8-14-20-49/h6,9-11,13,15-32,36-38,57-58H,1-5,7-8,12,14,33-35H2,(H,59,60)
InChIKeyBXGMPRWUQHPAPK-UHFFFAOYSA-N
MW784.06 g/mol
LogP14.11
Rot. Bonds17

About 3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide

3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide (PubChem CID 145193521) has the molecular formula C56H53N3O and a molecular weight of 784.06 g/mol. Its IUPAC name is 3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide.

Molecular Properties

Compound Name3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide
PubChem CID145193521
Molecular FormulaC56H53N3O
Molecular Weight784.06 g/mol
Exact Mass783.42
IUPAC Name3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide
SMILESC=C(Cc1ccc(NC(=C)c2cc(C(=C)Nc3ccc(CC(=C)c4ccccc4)cc3)cc(C(=O)Nc3ccc(CC(=C)C4=CCCC=C4)cc3)c2)cc1)C1=CCCC=C1
InChIInChI=1S/C56H53N3O/c1-39(47-15-9-6-10-16-47)33-44-21-27-53(28-22-44)57-42(4)50-36-51(43(5)58-54-29-23-45(24-30-54)34-40(2)48-17-11-7-12-18-48)38-52(37-50)56(60)59-55-31-25-46(26-32-55)35-41(3)49-19-13-8-14-20-49/h6,9-11,13,15-32,36-38,57-58H,1-5,7-8,12,14,33-35H2,(H,59,60)
InChIKeyBXGMPRWUQHPAPK-UHFFFAOYSA-N
XLogP14.11
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.06
LogP ≤ 514.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide with MolForge

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Related Compounds

5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
CID 144544325
N-(4-ethylphenyl)cyclohexa-1,5-diene-1-carboxamide
CID 145350320
N-(4-aminophenyl)cyclohexa-1,5-diene-1-carboxamide
CID 144544332
N-phenyl-3-(2-phenylacetyl)benzamide
CID 162068879
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
N-[4-(sulfanylmethyl)phenyl]benzamide
CID 130322927
N-(4-ethylphenyl)benzamide
CID 774063
N-(4-prop-2-enylphenyl)benzamide
CID 67934091
5-acetyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 144544324
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
N-but-1-en-2-yl-4-(1-cyclohexa-1,5-dien-1-ylethenyl)aniline
CID 143494911
N-[4-[(2-methylhydrazinyl)methyl]phenyl]benzamide;hydrobromide
CID 161255145

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide?
The IUPAC name of 3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide (CID 145193521) is 3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide.
What is the SMILES notation for 3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide?
The canonical SMILES for 3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide is C=C(Cc1ccc(NC(=C)c2cc(C(=C)Nc3ccc(CC(=C)c4ccccc4)cc3)cc(C(=O)Nc3ccc(CC(=C)C4=CCCC=C4)cc3)c2)cc1)C1=CCCC=C1.
What is the InChIKey of 3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide?
The InChIKey is BXGMPRWUQHPAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H53N3O/c1-39(47-15-9-6-10-16-47)33-44-21-27-53(28-22-44)57-42(4)50-36-51(43(5)58-54-29-23-45(24-30-54)34-40(2)48-17-11-7-12-18-48)38-52(37-50)56(60)59-55-31-25-46(26-32-55)35-41(3)49-19-13-8-14-20-49/h6,9-11,13,15-32,36-38,57-58H,1-5,7-8,12,14,33-35H2,(H,59,60).
What are the key properties of 3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide?
3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide has a molecular weight of 784.06 g/mol, XLogP of 14.11, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)anilino]ethenyl]-N-[4-(2-cyclohexa-1,5-dien-1-ylprop-2-enyl)phenyl]-5-[1-[4-(2-phenylprop-2-enyl)anilino]ethenyl]benzamide is sourced from PubChem (CID 145193521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).