2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

C24H20N8 — CID 3092789

IUPAC2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESC(=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H20N8/c1-3-9-18(10-4-1)27-22-29-23(28-19-11-5-2-6-12-19)31-24(30-22)32-26-16-17-15-25-21-14-8-7-13-20(17)21/h1-16,25H,(H3,27,28,29,30,31,32)
InChIKeyHVWAOLILOIWEKK-UHFFFAOYSA-N
MW420.48 g/mol
LogP5.29
Rot. Bonds7

About 2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 3092789) has the molecular formula C24H20N8 and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID3092789
Molecular FormulaC24H20N8
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESC(=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H20N8/c1-3-9-18(10-4-1)27-22-29-23(28-19-11-5-2-6-12-19)31-24(30-22)32-26-16-17-15-25-21-14-8-7-13-20(17)21/h1-16,25H,(H3,27,28,29,30,31,32)
InChIKeyHVWAOLILOIWEKK-UHFFFAOYSA-N
XLogP5.29
TPSA102.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 55.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 136717071
2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 171147964
2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol
CID 153389201
2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 136843437
5-N-[(E)-1H-indol-3-ylmethylideneamino]-6-N-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 137082807
2-N-(1H-indol-3-ylmethylideneamino)-4-N-(4-nitrophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 136832231
N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 136690255
4-N-(2-chlorophenyl)-2-N-[(E)-1H-indol-3-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 153389188
4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 153389202
3-N-(1H-indol-3-ylmethylideneamino)-5-methyl-1H-1,2,4-triazol-4-ium-3,4-diamine
CID 135514935
4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136919744
N-(1H-indol-3-ylmethylideneamino)-3-(trifluoromethyl)aniline
CID 136704769

Frequently Asked Questions

What is the IUPAC name of 2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 3092789) is 2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is C(=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HVWAOLILOIWEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8/c1-3-9-18(10-4-1)27-22-29-23(28-19-11-5-2-6-12-19)31-24(30-22)32-26-16-17-15-25-21-14-8-7-13-20(17)21/h1-16,25H,(H3,27,28,29,30,31,32).
What are the key properties of 2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 420.48 g/mol, XLogP of 5.29, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 3092789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).