2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

C23H20FN7 — CID 4079235

IUPAC2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCC(=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H20FN7/c1-16(17-12-14-18(24)15-13-17)30-31-23-28-21(25-19-8-4-2-5-9-19)27-22(29-23)26-20-10-6-3-7-11-20/h2-15H,1H3,(H3,25,26,27,28,29,31)
InChIKeyNEABTUADXUHUSO-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.33
Rot. Bonds7

About 2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 4079235) has the molecular formula C23H20FN7 and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID4079235
Molecular FormulaC23H20FN7
Molecular Weight413.46 g/mol
Exact Mass413.18
IUPAC Name2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCC(=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc(F)cc1
InChIInChI=1S/C23H20FN7/c1-16(17-12-14-18(24)15-13-17)30-31-23-28-21(25-19-8-4-2-5-9-19)27-22(29-23)26-20-10-6-3-7-11-20/h2-15H,1H3,(H3,25,26,27,28,29,31)
InChIKeyNEABTUADXUHUSO-UHFFFAOYSA-N
XLogP5.33
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine with MolForge

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

Launch Full Analysis

Related Compounds

2-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6176095
6-N-benzyl-2-N-[1-(4-bromophenyl)ethylideneamino]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 4166719
4-N-(2,4-dimethylphenyl)-6-N-phenyl-2-N-(1-phenylethylideneamino)-1,3,5-triazine-2,4,6-triamine
CID 78460794
4-[(E)-N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135636683
4-[N-[(4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenol
CID 4082314
4-(4-chlorophenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-6-phenylpyrimidin-2-amine
CID 7451972
N-[4-[N-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 5180598
5-(3-fluorophenyl)-4-N,6-N-bis[(E)-1-(4-methylsulfonylphenyl)ethylideneamino]-2-N-phenylpyrimidine-2,4,6-triamine
CID 11763864
N-[1-(4-fluorophenyl)ethylideneamino]-2,6-diphenylpyrimidin-4-amine
CID 2848311
4-N-(2,4-dimethylphenyl)-2-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 46501140
6-chloro-2-N-[1-(4-fluorophenyl)ethylideneamino]pyrimidine-2,4-diamine
CID 2842124
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]pyridin-2-amine
CID 6145584

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 4079235) is 2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is CC(=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc(F)cc1.
What is the InChIKey of 2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NEABTUADXUHUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7/c1-16(17-12-14-18(24)15-13-17)30-31-23-28-21(25-19-8-4-2-5-9-19)27-22(29-23)26-20-10-6-3-7-11-20/h2-15H,1H3,(H3,25,26,27,28,29,31).
What are the key properties of 2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 413.46 g/mol, XLogP of 5.33, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-fluorophenyl)ethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 4079235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).