(1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine

C57H53N5 — CID 144806253

IUPAC(1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine
SMILESC/C=C\C=C(/N)c1ccc(C2C=C(c3ccc(C4C=CC=CN4)cc3)C=C(c3ccc(-c4cccc(/C(=C(C)\C(=N/CN)c5ccccc5)c5ccccc5C)c4)cc3)N2)cc1
InChIInChI=1S/C57H53N5/c1-4-5-20-52(59)43-26-32-46(33-27-43)55-37-50(42-24-28-44(29-25-42)53-21-11-12-34-60-53)36-54(62-55)45-30-22-41(23-31-45)48-17-13-18-49(35-48)56(51-19-10-9-14-39(51)2)40(3)57(61-38-58)47-15-7-6-8-16-47/h4-37,53,55,60,62H,38,58-59H2,1-3H3/b5-4-,52-20-,56-40+,61-57+
InChIKeyPSHHGIOAGFMINL-DXQNKPEDSA-N
MW808.09 g/mol
LogP12.25
Rot. Bonds12

About (1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine

(1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine (PubChem CID 144806253) has the molecular formula C57H53N5 and a molecular weight of 808.09 g/mol. Its IUPAC name is (1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine
PubChem CID144806253
Molecular FormulaC57H53N5
Molecular Weight808.09 g/mol
Exact Mass807.43
IUPAC Name(1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine
SMILESC/C=C\C=C(/N)c1ccc(C2C=C(c3ccc(C4C=CC=CN4)cc3)C=C(c3ccc(-c4cccc(/C(=C(C)\C(=N/CN)c5ccccc5)c5ccccc5C)c4)cc3)N2)cc1
InChIInChI=1S/C57H53N5/c1-4-5-20-52(59)43-26-32-46(33-27-43)55-37-50(42-24-28-44(29-25-42)53-21-11-12-34-60-53)36-54(62-55)45-30-22-41(23-31-45)48-17-13-18-49(35-48)56(51-19-10-9-14-39(51)2)40(3)57(61-38-58)47-15-7-6-8-16-47/h4-37,53,55,60,62H,38,58-59H2,1-3H3/b5-4-,52-20-,56-40+,61-57+
InChIKeyPSHHGIOAGFMINL-DXQNKPEDSA-N
XLogP12.25
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.09
LogP ≤ 512.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine (CID 144806253) is (1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine is C/C=C\C=C(/N)c1ccc(C2C=C(c3ccc(C4C=CC=CN4)cc3)C=C(c3ccc(-c4cccc(/C(=C(C)\C(=N/CN)c5ccccc5)c5ccccc5C)c4)cc3)N2)cc1.
What is the InChIKey of (1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine?
The InChIKey is PSHHGIOAGFMINL-DXQNKPEDSA-N. The full InChI is InChI=1S/C57H53N5/c1-4-5-20-52(59)43-26-32-46(33-27-43)55-37-50(42-24-28-44(29-25-42)53-21-11-12-34-60-53)36-54(62-55)45-30-22-41(23-31-45)48-17-13-18-49(35-48)56(51-19-10-9-14-39(51)2)40(3)57(61-38-58)47-15-7-6-8-16-47/h4-37,53,55,60,62H,38,58-59H2,1-3H3/b5-4-,52-20-,56-40+,61-57+.
What are the key properties of (1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine?
(1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine has a molecular weight of 808.09 g/mol, XLogP of 12.25, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-[4-[6-[4-[3-[(E,3Z)-3-(aminomethylimino)-2-methyl-1-(2-methylphenyl)-3-phenylprop-1-enyl]phenyl]phenyl]-4-[4-(1,2-dihydropyridin-2-yl)phenyl]-1,2-dihydropyridin-2-yl]phenyl]penta-1,3-dien-1-amine is sourced from PubChem (CID 144806253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).