2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol

C32H37N7O2 — CID 139976285

IUPAC2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol
SMILESCC(C)(C)c1ccc(O)c(C=NNc2cc(Nc3ccccc3)nc(NN=Cc3cc(C(C)(C)C)ccc3O)n2)c1
InChIInChI=1S/C32H37N7O2/c1-31(2,3)23-12-14-26(40)21(16-23)19-33-38-29-18-28(35-25-10-8-7-9-11-25)36-30(37-29)39-34-20-22-17-24(32(4,5)6)13-15-27(22)41/h7-20,40-41H,1-6H3,(H3,35,36,37,38,39)
InChIKeyFGJNNSWSYNWQKA-UHFFFAOYSA-N
MW551.70 g/mol
LogP7.12
Rot. Bonds8

About 2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol

2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol (PubChem CID 139976285) has the molecular formula C32H37N7O2 and a molecular weight of 551.70 g/mol. Its IUPAC name is 2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol.

Molecular Properties

Compound Name2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol
PubChem CID139976285
Molecular FormulaC32H37N7O2
Molecular Weight551.70 g/mol
Exact Mass551.30
IUPAC Name2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol
SMILESCC(C)(C)c1ccc(O)c(C=NNc2cc(Nc3ccccc3)nc(NN=Cc3cc(C(C)(C)C)ccc3O)n2)c1
InChIInChI=1S/C32H37N7O2/c1-31(2,3)23-12-14-26(40)21(16-23)19-33-38-29-18-28(35-25-10-8-7-9-11-25)36-30(37-29)39-34-20-22-17-24(32(4,5)6)13-15-27(22)41/h7-20,40-41H,1-6H3,(H3,35,36,37,38,39)
InChIKeyFGJNNSWSYNWQKA-UHFFFAOYSA-N
XLogP7.12
TPSA127.05 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.70
LogP ≤ 57.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol with MolForge

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Related Compounds

4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381697
4-[[[6-anilino-2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-2,6-dimethylphenol
CID 139976192
6-N-phenyl-2-N,4-N-bis[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-2,4,6-triamine
CID 139976380
3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 139976250
2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976229
4-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136919744
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135419565
2-[(E)-[[4-anilino-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-nitrophenol
CID 135637772
2-[(E)-[[4-anilino-6-(diethylamino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-4-bromophenol
CID 135615119
2-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976959
2-[[[2-[2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-6-(2-methoxyanilino)pyrimidin-4-yl]hydrazinylidene]methyl]-5-methoxyphenol
CID 139976686
2-[(Z)-[[4-anilino-6-(2,4-dimethylanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135887721

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol?
The IUPAC name of 2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol (CID 139976285) is 2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol.
What is the SMILES notation for 2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol?
The canonical SMILES for 2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol is CC(C)(C)c1ccc(O)c(C=NNc2cc(Nc3ccccc3)nc(NN=Cc3cc(C(C)(C)C)ccc3O)n2)c1.
What is the InChIKey of 2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol?
The InChIKey is FGJNNSWSYNWQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O2/c1-31(2,3)23-12-14-26(40)21(16-23)19-33-38-29-18-28(35-25-10-8-7-9-11-25)36-30(37-29)39-34-20-22-17-24(32(4,5)6)13-15-27(22)41/h7-20,40-41H,1-6H3,(H3,35,36,37,38,39).
What are the key properties of 2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol?
2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol has a molecular weight of 551.70 g/mol, XLogP of 7.12, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-anilino-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-4-tert-butylphenol is sourced from PubChem (CID 139976285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).