2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol

C42H54N2O2 — CID 137078426

IUPAC2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol
SMILESCC(C)(C)Cc1cc(/C=N\c2cccc3cccc(/N=C/c4cc(CC(C)(C)C)cc(C(C)(C)C)c4O)c23)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C42H54N2O2/c1-39(2,3)23-27-19-30(37(45)32(21-27)41(7,8)9)25-43-34-17-13-15-29-16-14-18-35(36(29)34)44-26-31-20-28(24-40(4,5)6)22-33(38(31)46)42(10,11)12/h13-22,25-26,45-46H,23-24H2,1-12H3/b43-25-,44-26+
InChIKeyHIFDCZSICVEJQM-OBWYSMLFSA-N
MW618.91 g/mol
LogP11.52
Rot. Bonds6

About 2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol

2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol (PubChem CID 137078426) has the molecular formula C42H54N2O2 and a molecular weight of 618.91 g/mol. Its IUPAC name is 2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol
PubChem CID137078426
Molecular FormulaC42H54N2O2
Molecular Weight618.91 g/mol
Exact Mass618.42
IUPAC Name2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol
SMILESCC(C)(C)Cc1cc(/C=N\c2cccc3cccc(/N=C/c4cc(CC(C)(C)C)cc(C(C)(C)C)c4O)c23)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C42H54N2O2/c1-39(2,3)23-27-19-30(37(45)32(21-27)41(7,8)9)25-43-34-17-13-15-29-16-14-18-35(36(29)34)44-26-31-20-28(24-40(4,5)6)22-33(38(31)46)42(10,11)12/h13-22,25-26,45-46H,23-24H2,1-12H3/b43-25-,44-26+
InChIKeyHIFDCZSICVEJQM-OBWYSMLFSA-N
XLogP11.52
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.91
LogP ≤ 511.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-3-ethyl-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-ethylphenol;diacetate
CID 161265707
cobalt(2+);4-(2,2-dimethylpropyl)-2-[[8-[[5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]phenol;diacetate
CID 158777509
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol
CID 137156216
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-[[5-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-6-tert-butylphenol
CID 135405998
chromium;2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;ethane
CID 155737356
2-[[8-[[2-hydroxy-3,5-bis(2-methylpropyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-bis(2-methylpropyl)phenol
CID 137163075
2-[[8-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137156887
2-[[8-[(2-hydroxy-3,5-dimethylphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-4,6-dimethylphenol
CID 137032211
2,4-ditert-butyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135980173
4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol
CID 3095687
2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium
CID 175087881

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol?
The IUPAC name of 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) is 2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol.
What is the SMILES notation for 2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol?
The canonical SMILES for 2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol is CC(C)(C)Cc1cc(/C=N\c2cccc3cccc(/N=C/c4cc(CC(C)(C)C)cc(C(C)(C)C)c4O)c23)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol?
The InChIKey is HIFDCZSICVEJQM-OBWYSMLFSA-N. The full InChI is InChI=1S/C42H54N2O2/c1-39(2,3)23-27-19-30(37(45)32(21-27)41(7,8)9)25-43-34-17-13-15-29-16-14-18-35(36(29)34)44-26-31-20-28(24-40(4,5)6)22-33(38(31)46)42(10,11)12/h13-22,25-26,45-46H,23-24H2,1-12H3/b43-25-,44-26+.
What are the key properties of 2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol?
2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol has a molecular weight of 618.91 g/mol, XLogP of 11.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[8-[[3-tert-butyl-5-(2,2-dimethylpropyl)-2-hydroxyphenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-4-(2,2-dimethylpropyl)phenol is sourced from PubChem (CID 137078426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).