1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine

C24H18Cl3N3 — CID 14762542

IUPAC1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine
SMILESClc1ccc(Nc2cc(Nc3ccc(Cl)cc3)cc(Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C24H18Cl3N3/c25-16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(26)4-10-20)15-24(14-22)30-21-11-5-18(27)6-12-21/h1-15,28-30H
InChIKeyXASKKFXVYNAGJL-UHFFFAOYSA-N
MW454.79 g/mol
LogP8.88
Rot. Bonds6

About 1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine

1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine (PubChem CID 14762542) has the molecular formula C24H18Cl3N3 and a molecular weight of 454.79 g/mol. Its IUPAC name is 1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine.

Molecular Properties

Compound Name1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine
PubChem CID14762542
Molecular FormulaC24H18Cl3N3
Molecular Weight454.79 g/mol
Exact Mass453.06
IUPAC Name1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine
SMILESClc1ccc(Nc2cc(Nc3ccc(Cl)cc3)cc(Nc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C24H18Cl3N3/c25-16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(26)4-10-20)15-24(14-22)30-21-11-5-18(27)6-12-21/h1-15,28-30H
InChIKeyXASKKFXVYNAGJL-UHFFFAOYSA-N
XLogP8.88
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.79
LogP ≤ 58.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine?
The IUPAC name of 1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine (CID 14762542) is 1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine.
What is the SMILES notation for 1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine?
The canonical SMILES for 1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine is Clc1ccc(Nc2cc(Nc3ccc(Cl)cc3)cc(Nc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine?
The InChIKey is XASKKFXVYNAGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl3N3/c25-16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(26)4-10-20)15-24(14-22)30-21-11-5-18(27)6-12-21/h1-15,28-30H.
What are the key properties of 1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine?
1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine has a molecular weight of 454.79 g/mol, XLogP of 8.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-tris(4-chlorophenyl)benzene-1,3,5-triamine is sourced from PubChem (CID 14762542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).