2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol

C38H44N2O2 — CID 135431783

IUPAC2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc(/C=N/c3c(C(C)C)cccc3C(C)C)c2O)c1O
InChIInChI=1S/C38H44N2O2/c1-23(2)29-15-11-16-30(24(3)4)35(29)39-21-27-13-9-19-33(37(27)41)34-20-10-14-28(38(34)42)22-40-36-31(25(5)6)17-12-18-32(36)26(7)8/h9-26,41-42H,1-8H3/b39-21+,40-22+
InChIKeyBEZQCGOZLQUYEY-NJHHXWHYSA-N
MW560.78 g/mol
LogP10.76
Rot. Bonds9

About 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol

2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol (PubChem CID 135431783) has the molecular formula C38H44N2O2 and a molecular weight of 560.78 g/mol. Its IUPAC name is 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol.

Molecular Properties

Compound Name2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
PubChem CID135431783
Molecular FormulaC38H44N2O2
Molecular Weight560.78 g/mol
Exact Mass560.34
IUPAC Name2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol
SMILESCC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc(/C=N/c3c(C(C)C)cccc3C(C)C)c2O)c1O
InChIInChI=1S/C38H44N2O2/c1-23(2)29-15-11-16-30(24(3)4)35(29)39-21-27-13-9-19-33(37(27)41)34-20-10-14-28(38(34)42)22-40-36-31(25(5)6)17-12-18-32(36)26(7)8/h9-26,41-42H,1-8H3/b39-21+,40-22+
InChIKeyBEZQCGOZLQUYEY-NJHHXWHYSA-N
XLogP10.76
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.78
LogP ≤ 510.76
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-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-(2-hydroxyphenyl)phenol
CID 136723302
acetonitrile;2-anthracen-9-yl-6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenol;carbanide;nickel
CID 135497174
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]thiophen-3-yl]methanimine
CID 102098000
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
4-tert-butyl-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methylphenol
CID 160938473
2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane
CID 145257725
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol
CID 136669440
2-[[2-(2-methoxyphenyl)phenyl]iminomethyl]-6-propan-2-ylphenol
CID 136706319
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol
CID 136690856
2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol
CID 136726129

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol?
The IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol (CID 135431783) is 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol.
What is the SMILES notation for 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol?
The canonical SMILES for 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol is CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc(/C=N/c3c(C(C)C)cccc3C(C)C)c2O)c1O.
What is the InChIKey of 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol?
The InChIKey is BEZQCGOZLQUYEY-NJHHXWHYSA-N. The full InChI is InChI=1S/C38H44N2O2/c1-23(2)29-15-11-16-30(24(3)4)35(29)39-21-27-13-9-19-33(37(27)41)34-20-10-14-28(38(34)42)22-40-36-31(25(5)6)17-12-18-32(36)26(7)8/h9-26,41-42H,1-8H3/b39-21+,40-22+.
What are the key properties of 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol?
2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol has a molecular weight of 560.78 g/mol, XLogP of 10.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxyphenyl]phenol is sourced from PubChem (CID 135431783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).