4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine

C32H25N7O — CID 46939289

IUPAC4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESC(=C/c1cc(-c2ccc(Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)cc2)no1)\c1ccccc1
InChIInChI=1S/C32H25N7O/c1-4-10-23(11-5-1)16-21-28-22-29(39-40-28)24-17-19-27(20-18-24)35-32-37-30(33-25-12-6-2-7-13-25)36-31(38-32)34-26-14-8-3-9-15-26/h1-22H,(H3,33,34,35,36,37,38)/b21-16+
InChIKeyMVYDGRUVNSAHFI-LTGZKZEYSA-N
MW523.60 g/mol
LogP7.93
Rot. Bonds9

About 4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine

4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 46939289) has the molecular formula C32H25N7O and a molecular weight of 523.60 g/mol. Its IUPAC name is 4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID46939289
Molecular FormulaC32H25N7O
Molecular Weight523.60 g/mol
Exact Mass523.21
IUPAC Name4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESC(=C/c1cc(-c2ccc(Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)cc2)no1)\c1ccccc1
InChIInChI=1S/C32H25N7O/c1-4-10-23(11-5-1)16-21-28-22-29(39-40-28)24-17-19-27(20-18-24)35-32-37-30(33-25-12-6-2-7-13-25)36-31(38-32)34-26-14-8-3-9-15-26/h1-22H,(H3,33,34,35,36,37,38)/b21-16+
InChIKeyMVYDGRUVNSAHFI-LTGZKZEYSA-N
XLogP7.93
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.60
LogP ≤ 57.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole
CID 135470365
4-[(E)-2-chloroethenyl]-N-phenylaniline
CID 22717025
2,6-diphenyl-4-[(E)-2-phenylethenyl]pyridine
CID 164669085
2-[[4-anilino-6-[4-[2-[4-[[4-anilino-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]ethenyl]anilino]-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 66838275
(E)-1-(3-phenyl-1,2-oxazol-5-yl)pent-1-en-3-one
CID 154926167
2-N-(4-chlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938199
sodium 2-N-[4-[2-[4-[(4-anilino-6-methoxy-1,3,5-triazin-2-yl)amino]-2-oxidoperoxysulfanylphenyl]ethenyl]phenyl]-6-methoxy-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 59668393
2-N-[4-(2-amino-6-thiophen-2-ylpyrimidin-4-yl)phenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 45113252
2-N-[(3-chlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092796
N-[4-[2-[4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 70617138
N-[4-[5-(aminomethyl)-1,2-oxazol-3-yl]phenyl]pyridin-3-amine
CID 68983729

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine (CID 46939289) is 4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine is C(=C/c1cc(-c2ccc(Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)cc2)no1)\c1ccccc1.
What is the InChIKey of 4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MVYDGRUVNSAHFI-LTGZKZEYSA-N. The full InChI is InChI=1S/C32H25N7O/c1-4-10-23(11-5-1)16-21-28-22-29(39-40-28)24-17-19-27(20-18-24)35-32-37-30(33-25-12-6-2-7-13-25)36-31(38-32)34-26-14-8-3-9-15-26/h1-22H,(H3,33,34,35,36,37,38)/b21-16+.
What are the key properties of 4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 523.60 g/mol, XLogP of 7.93, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diphenyl-2-N-[4-[5-[(E)-2-phenylethenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 46939289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).