2,4,6-triphenylbenzene-1,3,5-triamine

C24H21N3 — CID 22926582

IUPAC2,4,6-triphenylbenzene-1,3,5-triamine
SMILESNc1c(-c2ccccc2)c(N)c(-c2ccccc2)c(N)c1-c1ccccc1
InChIInChI=1S/C24H21N3/c25-22-19(16-10-4-1-5-11-16)23(26)21(18-14-8-3-9-15-18)24(27)20(22)17-12-6-2-7-13-17/h1-15H,25-27H2
InChIKeyWWEXPFROUMQFIP-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.43
Rot. Bonds3

About 2,4,6-triphenylbenzene-1,3,5-triamine

2,4,6-triphenylbenzene-1,3,5-triamine (PubChem CID 22926582) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2,4,6-triphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name2,4,6-triphenylbenzene-1,3,5-triamine
PubChem CID22926582
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name2,4,6-triphenylbenzene-1,3,5-triamine
SMILESNc1c(-c2ccccc2)c(N)c(-c2ccccc2)c(N)c1-c1ccccc1
InChIInChI=1S/C24H21N3/c25-22-19(16-10-4-1-5-11-16)23(26)21(18-14-8-3-9-15-18)24(27)20(22)17-12-6-2-7-13-17/h1-15H,25-27H2
InChIKeyWWEXPFROUMQFIP-UHFFFAOYSA-N
XLogP5.43
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenylbenzene-1,3,5-triamine?
The IUPAC name of 2,4,6-triphenylbenzene-1,3,5-triamine (CID 22926582) is 2,4,6-triphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 2,4,6-triphenylbenzene-1,3,5-triamine?
The canonical SMILES for 2,4,6-triphenylbenzene-1,3,5-triamine is Nc1c(-c2ccccc2)c(N)c(-c2ccccc2)c(N)c1-c1ccccc1.
What is the InChIKey of 2,4,6-triphenylbenzene-1,3,5-triamine?
The InChIKey is WWEXPFROUMQFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c25-22-19(16-10-4-1-5-11-16)23(26)21(18-14-8-3-9-15-18)24(27)20(22)17-12-6-2-7-13-17/h1-15H,25-27H2.
What are the key properties of 2,4,6-triphenylbenzene-1,3,5-triamine?
2,4,6-triphenylbenzene-1,3,5-triamine has a molecular weight of 351.45 g/mol, XLogP of 5.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 22926582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).