4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine

C40H38N10O2 — CID 70504908

IUPAC4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(C(=C(c3ccccc3)c3nc(Nc4ccccc4)nc(N4CCOCC4)n3)c3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C40H38N10O2/c1-5-13-29(14-6-1)33(35-43-37(41-31-17-9-3-10-18-31)47-39(45-35)49-21-25-51-26-22-49)34(30-15-7-2-8-16-30)36-44-38(42-32-19-11-4-12-20-32)48-40(46-36)50-23-27-52-28-24-50/h1-20H,21-28H2,(H,41,43,45,47)(H,42,44,46,48)
InChIKeyQQAWLIXZZPJHNL-UHFFFAOYSA-N
MW690.81 g/mol
LogP6.22
Rot. Bonds10

About 4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine

4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine (PubChem CID 70504908) has the molecular formula C40H38N10O2 and a molecular weight of 690.81 g/mol. Its IUPAC name is 4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
PubChem CID70504908
Molecular FormulaC40H38N10O2
Molecular Weight690.81 g/mol
Exact Mass690.32
IUPAC Name4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(C(=C(c3ccccc3)c3nc(Nc4ccccc4)nc(N4CCOCC4)n3)c3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C40H38N10O2/c1-5-13-29(14-6-1)33(35-43-37(41-31-17-9-3-10-18-31)47-39(45-35)49-21-25-51-26-22-49)34(30-15-7-2-8-16-30)36-44-38(42-32-19-11-4-12-20-32)48-40(46-36)50-23-27-52-28-24-50/h1-20H,21-28H2,(H,41,43,45,47)(H,42,44,46,48)
InChIKeyQQAWLIXZZPJHNL-UHFFFAOYSA-N
XLogP6.22
TPSA126.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
disodium;1,2-bis[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethene-1,2-disulfonate
CID 87429171
2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 685113
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580366
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 39847761
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 4767473
N-[2-[2-[2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethoxy]ethyl]benzamide
CID 23816371
4-[(Z)-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135905107

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine (CID 70504908) is 4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine is c1ccc(Nc2nc(C(=C(c3ccccc3)c3nc(Nc4ccccc4)nc(N4CCOCC4)n3)c3ccccc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The InChIKey is QQAWLIXZZPJHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N10O2/c1-5-13-29(14-6-1)33(35-43-37(41-31-17-9-3-10-18-31)47-39(45-35)49-21-25-51-26-22-49)34(30-15-7-2-8-16-30)36-44-38(42-32-19-11-4-12-20-32)48-40(46-36)50-23-27-52-28-24-50/h1-20H,21-28H2,(H,41,43,45,47)(H,42,44,46,48).
What are the key properties of 4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine has a molecular weight of 690.81 g/mol, XLogP of 6.22, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 70504908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).