2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one

C24H22N6O — CID 123740545

IUPAC2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one
SMILESNc1ccc(/N=C2/CC(=N\c3ccc(N)cc3)/C(=N/c3ccc(N)cc3)CC2=O)cc1
InChIInChI=1S/C24H22N6O/c25-15-1-7-18(8-2-15)28-21-13-23(30-20-11-5-17(27)6-12-20)24(31)14-22(21)29-19-9-3-16(26)4-10-19/h1-12H,13-14,25-27H2/b28-21+,29-22+,30-23-
InChIKeySAANVWDCQMHWOB-MOPIXFSXSA-N
MW410.48 g/mol
LogP4.41
Rot. Bonds3

About 2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one

2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one (PubChem CID 123740545) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one.

Molecular Properties

Compound Name2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one
PubChem CID123740545
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one
SMILESNc1ccc(/N=C2/CC(=N\c3ccc(N)cc3)/C(=N/c3ccc(N)cc3)CC2=O)cc1
InChIInChI=1S/C24H22N6O/c25-15-1-7-18(8-2-15)28-21-13-23(30-20-11-5-17(27)6-12-20)24(31)14-22(21)29-19-9-3-16(26)4-10-19/h1-12H,13-14,25-27H2/b28-21+,29-22+,30-23-
InChIKeySAANVWDCQMHWOB-MOPIXFSXSA-N
XLogP4.41
TPSA132.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one?
The IUPAC name of 2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one (CID 123740545) is 2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one.
What is the SMILES notation for 2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one?
The canonical SMILES for 2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one is Nc1ccc(/N=C2/CC(=N\c3ccc(N)cc3)/C(=N/c3ccc(N)cc3)CC2=O)cc1.
What is the InChIKey of 2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one?
The InChIKey is SAANVWDCQMHWOB-MOPIXFSXSA-N. The full InChI is InChI=1S/C24H22N6O/c25-15-1-7-18(8-2-15)28-21-13-23(30-20-11-5-17(27)6-12-20)24(31)14-22(21)29-19-9-3-16(26)4-10-19/h1-12H,13-14,25-27H2/b28-21+,29-22+,30-23-.
What are the key properties of 2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one?
2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one has a molecular weight of 410.48 g/mol, XLogP of 4.41, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tris[(4-aminophenyl)imino]cyclohexan-1-one is sourced from PubChem (CID 123740545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).