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

C33H32N8O4 — CID 3965137

IUPAC6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(C=NNc2nc(NN=Cc3cccc(OC)c3OC)nc(N(c3ccccc3)c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C33H32N8O4/c1-42-27-19-18-23(29(20-27)44-3)21-34-39-31-36-32(40-35-22-24-12-11-17-28(43-2)30(24)45-4)38-33(37-31)41(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-22H,1-4H3,(H2,36,37,38,39,40)
InChIKeyRGMKFRDXCVJQFW-UHFFFAOYSA-N
MW604.67 g/mol
LogP6.27
Rot. Bonds13

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

6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 3965137) has the molecular formula C33H32N8O4 and a molecular weight of 604.67 g/mol. Its IUPAC name is 6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID3965137
Molecular FormulaC33H32N8O4
Molecular Weight604.67 g/mol
Exact Mass604.25
IUPAC Name6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(C=NNc2nc(NN=Cc3cccc(OC)c3OC)nc(N(c3ccccc3)c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C33H32N8O4/c1-42-27-19-18-23(29(20-27)44-3)21-34-39-31-36-32(40-35-22-24-12-11-17-28(43-2)30(24)45-4)38-33(37-31)41(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-22H,1-4H3,(H2,36,37,38,39,40)
InChIKeyRGMKFRDXCVJQFW-UHFFFAOYSA-N
XLogP6.27
TPSA127.61 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500604.67
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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

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Related Compounds

2-[(Z)-[[4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-(N-phenylanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 136898159
N-[(2,4-dimethoxyphenyl)methylideneamino]-4-methyl-6-phenylpyrimidin-2-amine
CID 2842200
4-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 2842344
2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 5136185
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509051
3-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841501
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395056
N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 2592580
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135419565
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 6907854
2-N,2-N-diphenyl-4-N,6-N-bis[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 6313295
2-[[[2-[2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-6-(2-methoxyanilino)pyrimidin-4-yl]hydrazinylidene]methyl]-5-methoxyphenol
CID 139976686

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 3965137) is 6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine is COc1ccc(C=NNc2nc(NN=Cc3cccc(OC)c3OC)nc(N(c3ccccc3)c3ccccc3)n2)c(OC)c1.
What is the InChIKey of 6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RGMKFRDXCVJQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N8O4/c1-42-27-19-18-23(29(20-27)44-3)21-34-39-31-36-32(40-35-22-24-12-11-17-28(43-2)30(24)45-4)38-33(37-31)41(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h5-22H,1-4H3,(H2,36,37,38,39,40).
What are the key properties of 6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 604.67 g/mol, XLogP of 6.27, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2,3-dimethoxyphenyl)methylideneamino]-4-N-[(2,4-dimethoxyphenyl)methylideneamino]-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 3965137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).