2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

C25H23N7 — CID 2301718

IUPAC2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESC/C(C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)=C/c1ccccc1
InChIInChI=1S/C25H23N7/c1-19(17-20-11-5-2-6-12-20)18-26-32-25-30-23(27-21-13-7-3-8-14-21)29-24(31-25)28-22-15-9-4-10-16-22/h2-18H,1H3,(H3,27,28,29,30,31,32)/b19-17-,26-18?
InChIKeyRVKDARJYUNCINP-WLYKJMQDSA-N
MW421.51 g/mol
LogP5.86
Rot. Bonds8

About 2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine

2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 2301718) has the molecular formula C25H23N7 and a molecular weight of 421.51 g/mol. Its IUPAC name is 2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID2301718
Molecular FormulaC25H23N7
Molecular Weight421.51 g/mol
Exact Mass421.20
IUPAC Name2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESC/C(C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)=C/c1ccccc1
InChIInChI=1S/C25H23N7/c1-19(17-20-11-5-2-6-12-20)18-26-32-25-30-23(27-21-13-7-3-8-14-21)29-24(31-25)28-22-15-9-4-10-16-22/h2-18H,1H3,(H3,27,28,29,30,31,32)/b19-17-,26-18?
InChIKeyRVKDARJYUNCINP-WLYKJMQDSA-N
XLogP5.86
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.51
LogP ≤ 55.86
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'}

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Related Compounds

4-N-(4-methylphenyl)-2-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171981603
2-N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-4-N-(4-nitrophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 22303545
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 6870742
N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 6750186
2-N-[(Z)-[4-[(Z)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6288005
2-N-[(Z)-benzylideneamino]-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine;ethane
CID 91073006
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135419565
4-[(E)-[[4-anilino-6-(methylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135722691
1-[(2-methyl-3-phenylprop-2-enylidene)amino]-3-phenylthiourea
CID 3461984
(2S,3Z)-3-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]propane-1,2-diol
CID 5457216
3-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoic acid
CID 3381171
2-N-[(3-chlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092796

Frequently Asked Questions

What is the IUPAC name of 2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 2301718) is 2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is C/C(C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)=C/c1ccccc1.
What is the InChIKey of 2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RVKDARJYUNCINP-WLYKJMQDSA-N. The full InChI is InChI=1S/C25H23N7/c1-19(17-20-11-5-2-6-12-20)18-26-32-25-30-23(27-21-13-7-3-8-14-21)29-24(31-25)28-22-15-9-4-10-16-22/h2-18H,1H3,(H3,27,28,29,30,31,32)/b19-17-,26-18?.
What are the key properties of 2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 421.51 g/mol, XLogP of 5.86, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 2301718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).