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

C32H40N2O2 — CID 137163057

IUPAC2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(/C=N/c2cccc(/N=C/c3cc(C(C)C)cc(C(C)C)c3O)c2)c(O)c(C(C)C)c1
InChIInChI=1S/C32H40N2O2/c1-19(2)23-12-25(31(35)29(14-23)21(5)6)17-33-27-10-9-11-28(16-27)34-18-26-13-24(20(3)4)15-30(22(7)8)32(26)36/h9-22,35-36H,1-8H3/b33-17+,34-18+
InChIKeySFKIMUNGWOTUSP-WMFSDKRHSA-N
MW484.68 g/mol
LogP9.09
Rot. Bonds8

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

2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol (PubChem CID 137163057) has the molecular formula C32H40N2O2 and a molecular weight of 484.68 g/mol. Its IUPAC name is 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol.

Molecular Properties

Compound Name2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol
PubChem CID137163057
Molecular FormulaC32H40N2O2
Molecular Weight484.68 g/mol
Exact Mass484.31
IUPAC Name2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol
SMILESCC(C)c1cc(/C=N/c2cccc(/N=C/c3cc(C(C)C)cc(C(C)C)c3O)c2)c(O)c(C(C)C)c1
InChIInChI=1S/C32H40N2O2/c1-19(2)23-12-25(31(35)29(14-23)21(5)6)17-33-27-10-9-11-28(16-27)34-18-26-13-24(20(3)4)15-30(22(7)8)32(26)36/h9-22,35-36H,1-8H3/b33-17+,34-18+
InChIKeySFKIMUNGWOTUSP-WMFSDKRHSA-N
XLogP9.09
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.68
LogP ≤ 59.09
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-3,5-di(propan-2-yl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-di(propan-2-yl)phenol
CID 137128809
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
cobalt(2+);2-[[4-[(2-hydroxy-3-propan-2-yl-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-yl-4-trimethylsilylphenol;diacetate
CID 173034134
2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol
CID 137108335
2-[(2,6-ditert-butylphenyl)iminomethyl]-4-fluoro-6-propan-2-ylphenol
CID 137282686
4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 137158226
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]iminomethyl]-4-methylphenol
CID 137162019
4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137160061
cobalt(2+);2-[[2-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-4,6-di(propan-2-yl)phenol;diacetate
CID 173033959
2-ethoxy-6-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 135657449
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
4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]phenyl]iminomethyl]-6-propan-2-ylphenol;cobalt(2+);diacetate
CID 173034017

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol?
The IUPAC name of 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol (CID 137163057) is 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]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]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol?
The canonical SMILES for 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol is CC(C)c1cc(/C=N/c2cccc(/N=C/c3cc(C(C)C)cc(C(C)C)c3O)c2)c(O)c(C(C)C)c1.
What is the InChIKey of 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol?
The InChIKey is SFKIMUNGWOTUSP-WMFSDKRHSA-N. The full InChI is InChI=1S/C32H40N2O2/c1-19(2)23-12-25(31(35)29(14-23)21(5)6)17-33-27-10-9-11-28(16-27)34-18-26-13-24(20(3)4)15-30(22(7)8)32(26)36/h9-22,35-36H,1-8H3/b33-17+,34-18+.
What are the key properties of 2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol?
2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol has a molecular weight of 484.68 g/mol, XLogP of 9.09, 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]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol is sourced from PubChem (CID 137163057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).