2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol

C50H40N2O2 — CID 136654254

IUPAC2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol
SMILESCc1cccc(/C=N/c2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1O.Cc1cccc(/C=N/c2ccc3ccccc3c2)c1O
InChIInChI=1S/C32H25NO.C18H15NO/c1-23-12-11-19-27(32(23)34)22-33-31-29(25-15-7-3-8-16-25)20-28(24-13-5-2-6-14-24)21-30(31)26-17-9-4-10-18-26;1-13-5-4-8-16(18(13)20)12-19-17-10-9-14-6-2-3-7-15(14)11-17/h2-22,34H,1H3;2-12,20H,1H3/b33-22+;19-12+
InChIKeyGQPPSVBMCKNVTH-VYSMUPBOSA-N
MW700.88 g/mol
LogP13.06
Rot. Bonds7

About 2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol

2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol (PubChem CID 136654254) has the molecular formula C50H40N2O2 and a molecular weight of 700.88 g/mol. Its IUPAC name is 2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol
PubChem CID136654254
Molecular FormulaC50H40N2O2
Molecular Weight700.88 g/mol
Exact Mass700.31
IUPAC Name2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol
SMILESCc1cccc(/C=N/c2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1O.Cc1cccc(/C=N/c2ccc3ccccc3c2)c1O
InChIInChI=1S/C32H25NO.C18H15NO/c1-23-12-11-19-27(32(23)34)22-33-31-29(25-15-7-3-8-16-25)20-28(24-13-5-2-6-14-24)21-30(31)26-17-9-4-10-18-26;1-13-5-4-8-16(18(13)20)12-19-17-10-9-14-6-2-3-7-15(14)11-17/h2-22,34H,1H3;2-12,20H,1H3/b33-22+;19-12+
InChIKeyGQPPSVBMCKNVTH-VYSMUPBOSA-N
XLogP13.06
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.88
LogP ≤ 513.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol?
The IUPAC name of 2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol (CID 136654254) is 2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol is Cc1cccc(/C=N/c2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1O.Cc1cccc(/C=N/c2ccc3ccccc3c2)c1O.
What is the InChIKey of 2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol?
The InChIKey is GQPPSVBMCKNVTH-VYSMUPBOSA-N. The full InChI is InChI=1S/C32H25NO.C18H15NO/c1-23-12-11-19-27(32(23)34)22-33-31-29(25-15-7-3-8-16-25)20-28(24-13-5-2-6-14-24)21-30(31)26-17-9-4-10-18-26;1-13-5-4-8-16(18(13)20)12-19-17-10-9-14-6-2-3-7-15(14)11-17/h2-22,34H,1H3;2-12,20H,1H3/b33-22+;19-12+.
What are the key properties of 2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol?
2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol has a molecular weight of 700.88 g/mol, XLogP of 13.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol is sourced from PubChem (CID 136654254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).