2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol

C28H26N2O2 — CID 137032211

IUPAC2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(/C=N\c2cccc3cccc(/N=C/c4cc(C)cc(C)c4O)c23)c1
InChIInChI=1S/C28H26N2O2/c1-17-11-19(3)27(31)22(13-17)15-29-24-9-5-7-21-8-6-10-25(26(21)24)30-16-23-14-18(2)12-20(4)28(23)32/h5-16,31-32H,1-4H3/b29-15-,30-16+
InChIKeyKULDTPPARMNGCU-CBTGBURPSA-N
MW422.53 g/mol
LogP6.99
Rot. Bonds4

About 2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol

2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol (PubChem CID 137032211) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol
PubChem CID137032211
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(/C=N\c2cccc3cccc(/N=C/c4cc(C)cc(C)c4O)c23)c1
InChIInChI=1S/C28H26N2O2/c1-17-11-19(3)27(31)22(13-17)15-29-24-9-5-7-21-8-6-10-25(26(21)24)30-16-23-14-18(2)12-20(4)28(23)32/h5-16,31-32H,1-4H3/b29-15-,30-16+
InChIKeyKULDTPPARMNGCU-CBTGBURPSA-N
XLogP6.99
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137156887
cobalt(2+);2-[[8-[(2-hydroxy-5-methyl-3-propan-2-ylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4-methyl-6-propan-2-ylphenol;diacetate
CID 157073156
2-tert-butyl-6-[[2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 158206188
2,6-bis[(2,4-dimethylphenyl)iminomethyl]-4-methylphenol
CID 137266730
2-[[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]iminomethyl]-4,6-dimethylphenol
CID 135735822
2-hydroxy-5-methyl-3-(quinolin-8-yliminomethyl)benzaldehyde
CID 136675336
2-[[1-[2-[[2-hydroxy-5-methyl-3-(2,4,6-trimethylphenyl)phenyl]methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-4-methyl-6-(2,4,6-trimethylphenyl)phenol
CID 136845962
4-methyl-2,6-bis[(2-methylsulfanylphenyl)iminomethyl]phenol
CID 136797753
2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137048789
2-[[8-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-bis(2-methylpropyl)phenol
CID 137163075
2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol
CID 137078426
2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol
CID 757958

Frequently Asked Questions

What is the IUPAC name of 2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol?
The IUPAC name of 2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol (CID 137032211) is 2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(/C=N\c2cccc3cccc(/N=C/c4cc(C)cc(C)c4O)c23)c1.
What is the InChIKey of 2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol?
The InChIKey is KULDTPPARMNGCU-CBTGBURPSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-17-11-19(3)27(31)22(13-17)15-29-24-9-5-7-21-8-6-10-25(26(21)24)30-16-23-14-18(2)12-20(4)28(23)32/h5-16,31-32H,1-4H3/b29-15-,30-16+.
What are the key properties of 2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol?
2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol has a molecular weight of 422.53 g/mol, XLogP of 6.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol is sourced from PubChem (CID 137032211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).