2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol

C26H21NO — CID 135997411

IUPAC2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
SMILESCc1cccc(/C=N/c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1O
InChIInChI=1S/C26H21NO/c1-19-6-5-9-24(26(19)28)18-27-25-16-14-23(15-17-25)22-12-10-21(11-13-22)20-7-3-2-4-8-20/h2-18,28H,1H3/b27-18+
InChIKeyLHKDGAJTMHYUBR-OVVQPSECSA-N
MW363.46 g/mol
LogP6.79
Rot. Bonds4

About 2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol

2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol (PubChem CID 135997411) has the molecular formula C26H21NO and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
PubChem CID135997411
Molecular FormulaC26H21NO
Molecular Weight363.46 g/mol
Exact Mass363.16
IUPAC Name2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
SMILESCc1cccc(/C=N/c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1O
InChIInChI=1S/C26H21NO/c1-19-6-5-9-24(26(19)28)18-27-25-16-14-23(15-17-25)22-12-10-21(11-13-22)20-7-3-2-4-8-20/h2-18,28H,1H3/b27-18+
InChIKeyLHKDGAJTMHYUBR-OVVQPSECSA-N
XLogP6.79
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol
CID 136654254
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
carbanide;chromium;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol
CID 135967147
2-[(2,6-dimethylphenyl)iminomethyl]-6-phenylphenol
CID 136690856
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
CID 137256616
2-methyl-6-[(E)-1,3,5-triazin-2-yliminomethyl]phenol
CID 135967228
1-phenyl-N-[4-(4-phenylphenyl)phenyl]methanimine
CID 101426517
carbanide;2-chloro-6-(phenyliminomethyl)phenol;zirconium(2+)
CID 135967304
2-[(E)-diphenylphosphinothioyliminomethyl]-6-methylphenol
CID 137300549
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
2-methyl-6-[(2-methyl-6-methylsulfanylphenyl)iminomethyl]phenol
CID 164862973

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol (CID 135997411) is 2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol is Cc1cccc(/C=N/c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c1O.
What is the InChIKey of 2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol?
The InChIKey is LHKDGAJTMHYUBR-OVVQPSECSA-N. The full InChI is InChI=1S/C26H21NO/c1-19-6-5-9-24(26(19)28)18-27-25-16-14-23(15-17-25)22-12-10-21(11-13-22)20-7-3-2-4-8-20/h2-18,28H,1H3/b27-18+.
What are the key properties of 2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol?
2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol has a molecular weight of 363.46 g/mol, XLogP of 6.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 135997411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).