4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine

C47H38Cl4N8O — CID 123897259

IUPAC4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(Cc3cccc(Cl)c3)nc(Cc3cccc(Cl)c3)n2)cc1.Clc1cccc(Cc2nc(Cc3cccc(Cl)c3)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C24H20Cl2N4O.C23H18Cl2N4/c1-31-21-10-8-20(9-11-21)27-24-29-22(14-16-4-2-6-18(25)12-16)28-23(30-24)15-17-5-3-7-19(26)13-17;24-18-8-4-6-16(12-18)14-21-27-22(15-17-7-5-9-19(25)13-17)29-23(28-21)26-20-10-2-1-3-11-20/h2-13H,14-15H2,1H3,(H,27,28,29,30);1-13H,14-15H2,(H,26,27,28,29)
InChIKeyBCUQLFLSXBSYRT-UHFFFAOYSA-N
MW872.69 g/mol
LogP12.22
Rot. Bonds13

About 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine

4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine (PubChem CID 123897259) has the molecular formula C47H38Cl4N8O and a molecular weight of 872.69 g/mol. Its IUPAC name is 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine
PubChem CID123897259
Molecular FormulaC47H38Cl4N8O
Molecular Weight872.69 g/mol
Exact Mass870.19
IUPAC Name4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(Cc3cccc(Cl)c3)nc(Cc3cccc(Cl)c3)n2)cc1.Clc1cccc(Cc2nc(Cc3cccc(Cl)c3)nc(Nc3ccccc3)n2)c1
InChIInChI=1S/C24H20Cl2N4O.C23H18Cl2N4/c1-31-21-10-8-20(9-11-21)27-24-29-22(14-16-4-2-6-18(25)12-16)28-23(30-24)15-17-5-3-7-19(26)13-17;24-18-8-4-6-16(12-18)14-21-27-22(15-17-7-5-9-19(25)13-17)29-23(28-21)26-20-10-2-1-3-11-20/h2-13H,14-15H2,1H3,(H,27,28,29,30);1-13H,14-15H2,(H,26,27,28,29)
InChIKeyBCUQLFLSXBSYRT-UHFFFAOYSA-N
XLogP12.22
TPSA110.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.69
LogP ≤ 512.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine (CID 123897259) is 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(Cc3cccc(Cl)c3)nc(Cc3cccc(Cl)c3)n2)cc1.Clc1cccc(Cc2nc(Cc3cccc(Cl)c3)nc(Nc3ccccc3)n2)c1.
What is the InChIKey of 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine?
The InChIKey is BCUQLFLSXBSYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O.C23H18Cl2N4/c1-31-21-10-8-20(9-11-21)27-24-29-22(14-16-4-2-6-18(25)12-16)28-23(30-24)15-17-5-3-7-19(26)13-17;24-18-8-4-6-16(12-18)14-21-27-22(15-17-7-5-9-19(25)13-17)29-23(28-21)26-20-10-2-1-3-11-20/h2-13H,14-15H2,1H3,(H,27,28,29,30);1-13H,14-15H2,(H,26,27,28,29).
What are the key properties of 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine?
4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine has a molecular weight of 872.69 g/mol, XLogP of 12.22, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)-1,3,5-triazin-2-amine;4,6-bis[(3-chlorophenyl)methyl]-N-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 123897259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).