(1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine

C42H34N4 — CID 139314463

IUPAC(1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine
SMILESC/C=C\C(=C/N)c1ccc(-c2cccc3c(-c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)cc4)cccc23)cc1
InChIInChI=1S/C42H34N4/c1-2-11-35(28-43)29-20-22-30(23-21-29)36-16-9-19-39-37(17-10-18-38(36)39)31-24-26-34(27-25-31)42-45-40(32-12-5-3-6-13-32)44-41(46-42)33-14-7-4-8-15-33/h2-28,42H,43H2,1H3,(H,44,45,46)/b11-2-,35-28+
InChIKeyJOTUUEWBMGIYHJ-ARCLRBFYSA-N
MW594.76 g/mol
LogP9.54
Rot. Bonds7

About (1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine

(1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine (PubChem CID 139314463) has the molecular formula C42H34N4 and a molecular weight of 594.76 g/mol. Its IUPAC name is (1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine
PubChem CID139314463
Molecular FormulaC42H34N4
Molecular Weight594.76 g/mol
Exact Mass594.28
IUPAC Name(1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine
SMILESC/C=C\C(=C/N)c1ccc(-c2cccc3c(-c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)cc4)cccc23)cc1
InChIInChI=1S/C42H34N4/c1-2-11-35(28-43)29-20-22-30(23-21-29)36-16-9-19-39-37(17-10-18-38(36)39)31-24-26-34(27-25-31)42-45-40(32-12-5-3-6-13-32)44-41(46-42)33-14-7-4-8-15-33/h2-28,42H,43H2,1H3,(H,44,45,46)/b11-2-,35-28+
InChIKeyJOTUUEWBMGIYHJ-ARCLRBFYSA-N
XLogP9.54
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 59.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-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

Related Compounds

4-[4-[5-[4-(1,4-dihydropyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139314718
[(Z)-1-[4-[1-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]prop-1-enyl]hydrazine
CID 139314461
(Z)-2-[4-[5-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]-3-iminoprop-1-en-1-amine
CID 139314716
ethane;4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2-(4-methylphenyl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine;(4Z)-2-methylhepta-2,4-diene;(3Z)-2-methylpenta-1,3-diene
CID 145452794
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
2-[4-[4-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-3-iodoiminoprop-1-en-1-amine
CID 163832368
2-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]benzonitrile
CID 155442951
5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 139314510
2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704
2-(4-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 122477886
2-(2-bromophenyl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 126727956
2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine
CID 166961343

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine (CID 139314463) is (1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine is C/C=C\C(=C/N)c1ccc(-c2cccc3c(-c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)cc4)cccc23)cc1.
What is the InChIKey of (1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine?
The InChIKey is JOTUUEWBMGIYHJ-ARCLRBFYSA-N. The full InChI is InChI=1S/C42H34N4/c1-2-11-35(28-43)29-20-22-30(23-21-29)36-16-9-19-39-37(17-10-18-38(36)39)31-24-26-34(27-25-31)42-45-40(32-12-5-3-6-13-32)44-41(46-42)33-14-7-4-8-15-33/h2-28,42H,43H2,1H3,(H,44,45,46)/b11-2-,35-28+.
What are the key properties of (1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine?
(1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine has a molecular weight of 594.76 g/mol, XLogP of 9.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-[4-[5-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]phenyl]penta-1,3-dien-1-amine is sourced from PubChem (CID 139314463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).