2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol

C33H34N2O2 — CID 137029937

IUPAC2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol
SMILESCC(C)c1cc(-c2ccccc2)cc(C=NCN=Cc2cc(-c3ccccc3)cc(C(C)C)c2O)c1O
InChIInChI=1S/C33H34N2O2/c1-22(2)30-17-26(24-11-7-5-8-12-24)15-28(32(30)36)19-34-21-35-20-29-16-27(25-13-9-6-10-14-25)18-31(23(3)4)33(29)37/h5-20,22-23,36-37H,21H2,1-4H3
InChIKeySOHXKBHBZKQYEV-UHFFFAOYSA-N
MW490.65 g/mol
LogP8.17
Rot. Bonds8

About 2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol

2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol (PubChem CID 137029937) has the molecular formula C33H34N2O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol.

Molecular Properties

Compound Name2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol
PubChem CID137029937
Molecular FormulaC33H34N2O2
Molecular Weight490.65 g/mol
Exact Mass490.26
IUPAC Name2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol
SMILESCC(C)c1cc(-c2ccccc2)cc(C=NCN=Cc2cc(-c3ccccc3)cc(C(C)C)c2O)c1O
InChIInChI=1S/C33H34N2O2/c1-22(2)30-17-26(24-11-7-5-8-12-24)15-28(32(30)36)19-34-21-35-20-29-16-27(25-13-9-6-10-14-25)18-31(23(3)4)33(29)37/h5-20,22-23,36-37H,21H2,1-4H3
InChIKeySOHXKBHBZKQYEV-UHFFFAOYSA-N
XLogP8.17
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 58.17
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-chloro-4-phenyl-6-propan-2-ylphenol
CID 146604618
4-ethyl-2-[2-[(5-ethyl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137117917
2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene
CID 140720985
2-[[2-[[2-hydroxy-5-(2-methylpropyl)-3-propan-2-ylphenyl]methylideneamino]phenyl]iminomethyl]-4-(2-methylpropyl)-6-propan-2-ylphenol
CID 137108335
4-butan-2-yl-2-[2-[(5-butan-2-yl-2-hydroxy-3-propan-2-ylphenyl)methylideneamino]ethyliminomethyl]-6-propan-2-ylphenol
CID 137160061
[4-phenyl-2,6-di(propan-2-yl)phenyl]boronic acid
CID 155616354
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
2-[[3-[[2-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-di(propan-2-yl)phenol
CID 137163057
CID 171468303
CID 171468303
4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol
CID 58077888
5-[12-(3-formyl-4-hydroxy-5-propan-2-ylphenyl)dodecyl]-2-hydroxy-3-phenylbenzaldehyde
CID 11548236
4-phenyl-2-propan-2-ylbenzaldehyde
CID 14895374

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol?
The IUPAC name of 2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol (CID 137029937) is 2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol.
What is the SMILES notation for 2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol?
The canonical SMILES for 2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol is CC(C)c1cc(-c2ccccc2)cc(C=NCN=Cc2cc(-c3ccccc3)cc(C(C)C)c2O)c1O.
What is the InChIKey of 2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol?
The InChIKey is SOHXKBHBZKQYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O2/c1-22(2)30-17-26(24-11-7-5-8-12-24)15-28(32(30)36)19-34-21-35-20-29-16-27(25-13-9-6-10-14-25)18-31(23(3)4)33(29)37/h5-20,22-23,36-37H,21H2,1-4H3.
What are the key properties of 2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol?
2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol has a molecular weight of 490.65 g/mol, XLogP of 8.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-5-phenyl-3-propan-2-ylphenyl)methylideneamino]methyliminomethyl]-4-phenyl-6-propan-2-ylphenol is sourced from PubChem (CID 137029937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).