[3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone

C27H20N2O3 — CID 135968952

IUPAC[3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(/N=C/c2ccccc2O)c(/N=C/c2ccccc2O)c1
InChIInChI=1S/C27H20N2O3/c30-25-12-6-4-10-21(25)17-28-23-15-14-20(27(32)19-8-2-1-3-9-19)16-24(23)29-18-22-11-5-7-13-26(22)31/h1-18,30-31H/b28-17+,29-18+
InChIKeyOLZPXPOGHKUMDZ-POAOKBCDSA-N
MW420.47 g/mol
LogP5.83
Rot. Bonds6

About [3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone

[3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone (PubChem CID 135968952) has the molecular formula C27H20N2O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is [3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
PubChem CID135968952
Molecular FormulaC27H20N2O3
Molecular Weight420.47 g/mol
Exact Mass420.15
IUPAC Name[3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(/N=C/c2ccccc2O)c(/N=C/c2ccccc2O)c1
InChIInChI=1S/C27H20N2O3/c30-25-12-6-4-10-21(25)17-28-23-15-14-20(27(32)19-8-2-1-3-9-19)16-24(23)29-18-22-11-5-7-13-26(22)31/h1-18,30-31H/b28-17+,29-18+
InChIKeyOLZPXPOGHKUMDZ-POAOKBCDSA-N
XLogP5.83
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
4-[4-(4-carboxyphenyl)-3-[(2-hydroxyphenyl)methylideneamino]phenyl]benzoic acid
CID 137213127
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
3-[3-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]phenyl]propanoic acid
CID 136854539
3-[(2,3-dihydroxyphenyl)methylideneamino]-4-hydroxybenzoic acid
CID 142640106
bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol
CID 139076652
methyl 3-hydroxy-4-[[2-[(2-hydroxy-4-methoxycarbonylphenyl)methylideneamino]phenyl]iminomethyl]benzoate
CID 136744502
[5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 3883823
2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol
CID 137230306
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442

Frequently Asked Questions

What is the IUPAC name of [3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The IUPAC name of [3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone (CID 135968952) is [3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone.
What is the SMILES notation for [3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The canonical SMILES for [3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(/N=C/c2ccccc2O)c(/N=C/c2ccccc2O)c1.
What is the InChIKey of [3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The InChIKey is OLZPXPOGHKUMDZ-POAOKBCDSA-N. The full InChI is InChI=1S/C27H20N2O3/c30-25-12-6-4-10-21(25)17-28-23-15-14-20(27(32)19-8-2-1-3-9-19)16-24(23)29-18-22-11-5-7-13-26(22)31/h1-18,30-31H/b28-17+,29-18+.
What are the key properties of [3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
[3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone has a molecular weight of 420.47 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone is sourced from PubChem (CID 135968952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).