2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol

C33H25NO — CID 137230306

IUPAC2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H25NO/c35-31-19-11-10-18-29(31)24-34-30-22-20-28(21-23-30)33(27-16-8-3-9-17-27)32(25-12-4-1-5-13-25)26-14-6-2-7-15-26/h1-24,35H/b34-24+
InChIKeyYSZGXJHVBVGYIN-JGRMKTMXSA-N
MW451.57 g/mol
LogP8.15
Rot. Bonds6

About 2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol

2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol (PubChem CID 137230306) has the molecular formula C33H25NO and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol
PubChem CID137230306
Molecular FormulaC33H25NO
Molecular Weight451.57 g/mol
Exact Mass451.19
IUPAC Name2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H25NO/c35-31-19-11-10-18-29(31)24-34-30-22-20-28(21-23-30)33(27-16-8-3-9-17-27)32(25-12-4-1-5-13-25)26-14-6-2-7-15-26/h1-24,35H/b34-24+
InChIKeyYSZGXJHVBVGYIN-JGRMKTMXSA-N
XLogP8.15
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 58.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol
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2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol
CID 170941504
2-[(4-phenoxyphenyl)iminomethyl]phenol
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CID 139076652
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2-[[4-(hydroxymethyl)phenyl]iminomethyl]phenol
CID 139083924
2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol
CID 3056190
N-[(Z)-1-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethylideneamino]benzamide
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2-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]iminomethyl]phenol
CID 2302434
(NE)-N-[(2-hydroxyphenyl)methylidene]-4-[(2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 135473169

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol (CID 137230306) is 2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol?
The InChIKey is YSZGXJHVBVGYIN-JGRMKTMXSA-N. The full InChI is InChI=1S/C33H25NO/c35-31-19-11-10-18-29(31)24-34-30-22-20-28(21-23-30)33(27-16-8-3-9-17-27)32(25-12-4-1-5-13-25)26-14-6-2-7-15-26/h1-24,35H/b34-24+.
What are the key properties of 2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol?
2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol has a molecular weight of 451.57 g/mol, XLogP of 8.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 137230306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).