2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol

C48H34N2O2 — CID 137098432

IUPAC2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol
SMILESOc1c(/C=N/c2cc3ccccc3cc2/N=C/c2cc(-c3ccccc3)cc(-c3ccccc3)c2O)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C48H34N2O2/c51-47-41(25-39(33-15-5-1-6-16-33)27-43(47)35-19-9-3-10-20-35)31-49-45-29-37-23-13-14-24-38(37)30-46(45)50-32-42-26-40(34-17-7-2-8-18-34)28-44(48(42)52)36-21-11-4-12-22-36/h1-32,51-52H/b49-31+,50-32+
InChIKeyVPNPPUOSRMYZOV-OLWQKVGQSA-N
MW670.81 g/mol
LogP12.42
Rot. Bonds8

About 2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol

2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol (PubChem CID 137098432) has the molecular formula C48H34N2O2 and a molecular weight of 670.81 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol.

Molecular Properties

Compound Name2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol
PubChem CID137098432
Molecular FormulaC48H34N2O2
Molecular Weight670.81 g/mol
Exact Mass670.26
IUPAC Name2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol
SMILESOc1c(/C=N/c2cc3ccccc3cc2/N=C/c2cc(-c3ccccc3)cc(-c3ccccc3)c2O)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C48H34N2O2/c51-47-41(25-39(33-15-5-1-6-16-33)27-43(47)35-19-9-3-10-20-35)31-49-45-29-37-23-13-14-24-38(37)30-46(45)50-32-42-26-40(34-17-7-2-8-18-34)28-44(48(42)52)36-21-11-4-12-22-36/h1-32,51-52H/b49-31+,50-32+
InChIKeyVPNPPUOSRMYZOV-OLWQKVGQSA-N
XLogP12.42
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.81
LogP ≤ 512.42
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-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol
CID 136823529
2-methyl-6-(naphthalen-2-yliminomethyl)phenol;2-methyl-6-[(2,4,6-triphenylphenyl)iminomethyl]phenol
CID 136654254
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-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
2-[(2-hydroxyphenyl)methylideneamino]-6-phenylphenol
CID 136888505
cobalt(2+);2-[[3-[(2-hydroxy-3-methyl-5-trimethylsilylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-trimethylsilylphenol;diacetate
CID 173033996
2-[[2-[(2-hydroxy-5-phenylphenyl)methylideneamino]-4-methoxyphenyl]iminomethyl]-4-phenylphenol
CID 137076335
2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol
CID 137099226
2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol
CID 140560518
2-[[3-[[2-hydroxy-3-methyl-5-(3-methylbutyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(3-methylbutyl)phenol
CID 137048789
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-propylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propylphenol
CID 137156216
2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol
CID 137071368

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol?
The IUPAC name of 2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol (CID 137098432) is 2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol.
What is the SMILES notation for 2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol?
The canonical SMILES for 2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol is Oc1c(/C=N/c2cc3ccccc3cc2/N=C/c2cc(-c3ccccc3)cc(-c3ccccc3)c2O)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol?
The InChIKey is VPNPPUOSRMYZOV-OLWQKVGQSA-N. The full InChI is InChI=1S/C48H34N2O2/c51-47-41(25-39(33-15-5-1-6-16-33)27-43(47)35-19-9-3-10-20-35)31-49-45-29-37-23-13-14-24-38(37)30-46(45)50-32-42-26-40(34-17-7-2-8-18-34)28-44(48(42)52)36-21-11-4-12-22-36/h1-32,51-52H/b49-31+,50-32+.
What are the key properties of 2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol?
2-[[3-[(2-hydroxy-3,5-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol has a molecular weight of 670.81 g/mol, XLogP of 12.42, 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-diphenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4,6-diphenylphenol is sourced from PubChem (CID 137098432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).