2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine

C45H39N9O3 — CID 157493367

IUPAC2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1.c1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C24H24N6.C21H15N3O3/c1-16-4-10-19(11-5-16)25-22-28-23(26-20-12-6-17(2)7-13-20)30-24(29-22)27-21-14-8-18(3)9-15-21;1-4-10-16(11-5-1)25-19-22-20(26-17-12-6-2-7-13-17)24-21(23-19)27-18-14-8-3-9-15-18/h4-15H,1-3H3,(H3,25,26,27,28,29,30);1-15H
InChIKeyBXNPFKHHOOAGEH-UHFFFAOYSA-N
MW753.87 g/mol
LogP11.28
Rot. Bonds12

About 2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine

2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 157493367) has the molecular formula C45H39N9O3 and a molecular weight of 753.87 g/mol. Its IUPAC name is 2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID157493367
Molecular FormulaC45H39N9O3
Molecular Weight753.87 g/mol
Exact Mass753.32
IUPAC Name2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1.c1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C24H24N6.C21H15N3O3/c1-16-4-10-19(11-5-16)25-22-28-23(26-20-12-6-17(2)7-13-20)30-24(29-22)27-21-14-8-18(3)9-15-21;1-4-10-16(11-5-1)25-19-22-20(26-17-12-6-2-7-13-17)24-21(23-19)27-18-14-8-3-9-15-18/h4-15H,1-3H3,(H3,25,26,27,28,29,30);1-15H
InChIKeyBXNPFKHHOOAGEH-UHFFFAOYSA-N
XLogP11.28
TPSA141.12 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500753.87
LogP ≤ 511.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

4-[[4-Amino-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486410
4-[[4-[2-[[4-(4-Cyanoanilino)-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]ethylamino]-6-(2,4,6-trimethylanilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 71452546
N2-[2-[[4-anilino-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]ethyl]-N4-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
CID 71454317
4-[[4-[2-[[4-Anilino-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]ethylamino]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 71459773
3-[[4-[2-[[4-(4-Cyanoanilino)-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]ethylamino]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 71459774
N2-phenyl-6-(2,4,6-trimethylphenoxy)-1,3,5-triazine-2,4-diamine
CID 86574122
4-[[4-[3-[[4-[4-Cyano-3-(3-methylbut-2-enoxy)anilino]-6-methoxy-1,3,5-triazin-2-yl]oxy]propoxy]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-(3-methylbut-2-enoxy)benzonitrile
CID 57334867
4-[[4-[3-[[4-(4-Cyanoanilino)-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]propylamino]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 71452548
4-[[4-[5-[[4-(4-Cyanoanilino)-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]pentylamino]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 71454316
4-[[4-[2-[[4-(4-Cyanoanilino)-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]ethylamino]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 71457861
3-[[4-[2-[[4-(3-Cyanoanilino)-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]ethylamino]-6-(2,4,6-trimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 71459755
4-[[4-[3-[[4-(4-Cyanoanilino)-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl]amino]propylamino]-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 71459775

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 157493367) is 2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1.c1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1.
What is the InChIKey of 2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BXNPFKHHOOAGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6.C21H15N3O3/c1-16-4-10-19(11-5-16)25-22-28-23(26-20-12-6-17(2)7-13-20)30-24(29-22)27-21-14-8-18(3)9-15-21;1-4-10-16(11-5-1)25-19-22-20(26-17-12-6-2-7-13-17)24-21(23-19)27-18-14-8-3-9-15-18/h4-15H,1-3H3,(H3,25,26,27,28,29,30);1-15H.
What are the key properties of 2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 753.87 g/mol, XLogP of 11.28, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenoxy-1,3,5-triazine;2-N,4-N,6-N-tris(4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 157493367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).