2-[(3,4,5-triphenylphenyl)iminomethyl]phenol

C31H23NO — CID 136859493

IUPAC2-[(3,4,5-triphenylphenyl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C31H23NO/c33-30-19-11-10-18-26(30)22-32-27-20-28(23-12-4-1-5-13-23)31(25-16-8-3-9-17-25)29(21-27)24-14-6-2-7-15-24/h1-22,33H/b32-22+
InChIKeyDTKAOUMTEIHNAI-WEMUVCOSSA-N
MW425.53 g/mol
LogP8.14
Rot. Bonds5

About 2-[(3,4,5-triphenylphenyl)iminomethyl]phenol

2-[(3,4,5-triphenylphenyl)iminomethyl]phenol (PubChem CID 136859493) has the molecular formula C31H23NO and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[(3,4,5-triphenylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(3,4,5-triphenylphenyl)iminomethyl]phenol
PubChem CID136859493
Molecular FormulaC31H23NO
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name2-[(3,4,5-triphenylphenyl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C31H23NO/c33-30-19-11-10-18-26(30)22-32-27-20-28(23-12-4-1-5-13-23)31(25-16-8-3-9-17-25)29(21-27)24-14-6-2-7-15-24/h1-22,33H/b32-22+
InChIKeyDTKAOUMTEIHNAI-WEMUVCOSSA-N
XLogP8.14
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 58.14
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

palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[(2-hydroxyphenyl)methylideneamino]-6-phenylphenol
CID 136888505
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
CID 136702059
2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol
CID 137230306
2,3-bis[4-[(2-hydroxyphenyl)methylideneamino]phenyl]pentacene-6,13-dione
CID 136683413
2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol
CID 3812353
2-[[4-(hydroxymethyl)phenyl]iminomethyl]phenol
CID 139083924
2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol
CID 2302434
2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol
CID 170941504
2-[(E)-(3-phenyl-1-benzothiophen-2-yl)iminomethyl]phenol
CID 137103679

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-triphenylphenyl)iminomethyl]phenol?
The IUPAC name of 2-[(3,4,5-triphenylphenyl)iminomethyl]phenol (CID 136859493) is 2-[(3,4,5-triphenylphenyl)iminomethyl]phenol.
What is the SMILES notation for 2-[(3,4,5-triphenylphenyl)iminomethyl]phenol?
The canonical SMILES for 2-[(3,4,5-triphenylphenyl)iminomethyl]phenol is Oc1ccccc1/C=N/c1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 2-[(3,4,5-triphenylphenyl)iminomethyl]phenol?
The InChIKey is DTKAOUMTEIHNAI-WEMUVCOSSA-N. The full InChI is InChI=1S/C31H23NO/c33-30-19-11-10-18-26(30)22-32-27-20-28(23-12-4-1-5-13-23)31(25-16-8-3-9-17-25)29(21-27)24-14-6-2-7-15-24/h1-22,33H/b32-22+.
What are the key properties of 2-[(3,4,5-triphenylphenyl)iminomethyl]phenol?
2-[(3,4,5-triphenylphenyl)iminomethyl]phenol has a molecular weight of 425.53 g/mol, XLogP of 8.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-triphenylphenyl)iminomethyl]phenol is sourced from PubChem (CID 136859493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).