2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol

C36H42N2O2 — CID 137128809

IUPAC2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc(C(C)C)cc(C(C)C)c2O)c(O)c(C(C)C)c1
InChIInChI=1S/C36H42N2O2/c1-21(2)27-13-29(35(39)31(15-27)23(5)6)19-37-33-17-25-11-9-10-12-26(25)18-34(33)38-20-30-14-28(22(3)4)16-32(24(7)8)36(30)40/h9-24,39-40H,1-8H3/b37-19+,38-20+
InChIKeyYFGSTYZYJQPPFK-RIOOQTRLSA-N
MW534.74 g/mol
LogP10.25
Rot. Bonds8

About 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol

2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol (PubChem CID 137128809) has the molecular formula C36H42N2O2 and a molecular weight of 534.74 g/mol. Its IUPAC name is 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol
PubChem CID137128809
Molecular FormulaC36H42N2O2
Molecular Weight534.74 g/mol
Exact Mass534.32
IUPAC Name2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc(C(C)C)cc(C(C)C)c2O)c(O)c(C(C)C)c1
InChIInChI=1S/C36H42N2O2/c1-21(2)27-13-29(35(39)31(15-27)23(5)6)19-37-33-17-25-11-9-10-12-26(25)18-34(33)38-20-30-14-28(22(3)4)16-32(24(7)8)36(30)40/h9-24,39-40H,1-8H3/b37-19+,38-20+
InChIKeyYFGSTYZYJQPPFK-RIOOQTRLSA-N
XLogP10.25
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.74
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-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol
CID 137071368
2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol
CID 137163057
2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol
CID 137108335
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-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol
CID 137099226
2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137048789
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-1-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136826646
2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol
CID 137098432
4-butyl-2-[[2-[(5-butyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-ylphenol;cobalt(2+);diacetate
CID 159140445
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
cobalt(2+);2-[[2-[(2-hydroxy-3-methyl-5-propan-2-ylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-6-methyl-4-propan-2-ylphenol;diacetate
CID 173033897

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol?
The IUPAC name of 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol (CID 137128809) is 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol.
What is the SMILES notation for 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol?
The canonical SMILES for 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol is CC(C)c1cc(/C=N/c2cc3ccccc3cc2/N=C/c2cc(C(C)C)cc(C(C)C)c2O)c(O)c(C(C)C)c1.
What is the InChIKey of 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol?
The InChIKey is YFGSTYZYJQPPFK-RIOOQTRLSA-N. The full InChI is InChI=1S/C36H42N2O2/c1-21(2)27-13-29(35(39)31(15-27)23(5)6)19-37-33-17-25-11-9-10-12-26(25)18-34(33)38-20-30-14-28(22(3)4)16-32(24(7)8)36(30)40/h9-24,39-40H,1-8H3/b37-19+,38-20+.
What are the key properties of 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol?
2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol has a molecular weight of 534.74 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-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol is sourced from PubChem (CID 137128809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).