2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol

C38H46N2O2 — CID 137156216

IUPAC2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol
SMILESCCCc1cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc(CCC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C38H46N2O2/c1-9-13-25-17-29(35(41)31(19-25)37(3,4)5)23-39-33-21-27-15-11-12-16-28(27)22-34(33)40-24-30-18-26(14-10-2)20-32(36(30)42)38(6,7)8/h11-12,15-24,41-42H,9-10,13-14H2,1-8H3/b39-23+,40-24+
InChIKeyIHZIEMFIORNJTB-DBMXBCQFSA-N
MW562.80 g/mol
LogP10.25
Rot. Bonds8

About 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol

2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol (PubChem CID 137156216) has the molecular formula C38H46N2O2 and a molecular weight of 562.80 g/mol. Its IUPAC name is 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol
PubChem CID137156216
Molecular FormulaC38H46N2O2
Molecular Weight562.80 g/mol
Exact Mass562.36
IUPAC Name2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol
SMILESCCCc1cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc(CCC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C38H46N2O2/c1-9-13-25-17-29(35(41)31(19-25)37(3,4)5)23-39-33-21-27-15-11-12-16-28(27)22-34(33)40-24-30-18-26(14-10-2)20-32(36(30)42)38(6,7)8/h11-12,15-24,41-42H,9-10,13-14H2,1-8H3/b39-23+,40-24+
InChIKeyIHZIEMFIORNJTB-DBMXBCQFSA-N
XLogP10.25
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.80
LogP ≤ 510.25
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-tert-butyl-6-[[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]methyliminomethyl]-4-propylphenol
CID 137103949
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-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137048789
chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
2,4-ditert-butyl-6-[(2-sulfanylphenyl)iminomethyl]phenol;titanium
CID 160643890
4-butyl-2-tert-butyl-6-[3-[(5-butyl-3-tert-butyl-2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 137167260
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135980173
2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol
CID 137099226
cobalt(2+);4-(2,2-dimethylpropyl)-2-[[3-[[5-(2,2-dimethylpropyl)-2-hydroxy-3-methylphenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methylphenol;diacetate
CID 159457220
4-bromo-2-[[1-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-tert-butylphenol
CID 136702081
cobalt(2+);2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol;diacetate
CID 158037661
4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol
CID 3095687

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol?
The IUPAC name of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol (CID 137156216) is 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol.
What is the SMILES notation for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol?
The canonical SMILES for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol is CCCc1cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc(CCC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol?
The InChIKey is IHZIEMFIORNJTB-DBMXBCQFSA-N. The full InChI is InChI=1S/C38H46N2O2/c1-9-13-25-17-29(35(41)31(19-25)37(3,4)5)23-39-33-21-27-15-11-12-16-28(27)22-34(33)40-24-30-18-26(14-10-2)20-32(36(30)42)38(6,7)8/h11-12,15-24,41-42H,9-10,13-14H2,1-8H3/b39-23+,40-24+.
What are the key properties of 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol?
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol has a molecular weight of 562.80 g/mol, XLogP of 10.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol is sourced from PubChem (CID 137156216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).