4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine

C27H20N4O2 — CID 163712308

IUPAC4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(Oc3ccccc3)nc(Oc3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C27H20N4O2/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)33-27-30-25(28-22-12-6-2-7-13-22)29-26(31-27)32-23-14-8-3-9-15-23/h1-19H,(H,28,29,30,31)
InChIKeyKKHSYZDSWYLFQJ-UHFFFAOYSA-N
MW432.48 g/mol
LogP6.87
Rot. Bonds7

About 4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine

4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 163712308) has the molecular formula C27H20N4O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine
PubChem CID163712308
Molecular FormulaC27H20N4O2
Molecular Weight432.48 g/mol
Exact Mass432.16
IUPAC Name4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(Oc3ccccc3)nc(Oc3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C27H20N4O2/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)33-27-30-25(28-22-12-6-2-7-13-22)29-26(31-27)32-23-14-8-3-9-15-23/h1-19H,(H,28,29,30,31)
InChIKeyKKHSYZDSWYLFQJ-UHFFFAOYSA-N
XLogP6.87
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[4-[4-(4-cyanophenyl)anilino]-6-phenoxy-1,3,5-triazin-2-yl]amino]phenyl]benzonitrile
CID 146533029
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
2-N-[3-(4-methoxyphenyl)phenyl]-4-N,6-N-bis(3-phenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 59030065
ethyl 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]benzoate
CID 86729978
2,4-bis(4-phenylphenoxy)-6-[4-[[4-[[4-(4-phenylphenoxy)-6-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-yl]oxy]phenyl]methyl]phenoxy]-1,3,5-triazine
CID 170085657
calcium bis(4-[[4,6-bis(4-phenylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate)
CID 162501102
2-[4-[4-[[4,6-bis(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]phenyl]phenoxy]-4,6-bis(4-methylphenoxy)-1,3,5-triazine
CID 169281032
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine
CID 145326243
[4-[(4-cyclohexa-1,5-dien-1-yloxy-6-phenoxy-1,3,5-triazin-2-yl)amino]phenyl]methanol
CID 144555983
3-[[4-(4-cyanophenoxy)-6-phenoxy-1,3,5-triazin-2-yl]amino]benzoic acid
CID 71538731
2-[(4,6-dianilino-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 4767524

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine (CID 163712308) is 4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine is c1ccc(Nc2nc(Oc3ccccc3)nc(Oc3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is KKHSYZDSWYLFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)33-27-30-25(28-22-12-6-2-7-13-22)29-26(31-27)32-23-14-8-3-9-15-23/h1-19H,(H,28,29,30,31).
What are the key properties of 4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine?
4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 432.48 g/mol, XLogP of 6.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 163712308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).