2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol

C34H28N2O2 — CID 136694432

IUPAC2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol
SMILESOc1ccccc1/C(=N/C[C@H](/N=C(\c1ccccc1)c1ccccc1O)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H28N2O2/c37-31-22-12-10-20-28(31)33(26-16-6-2-7-17-26)35-24-30(25-14-4-1-5-15-25)36-34(27-18-8-3-9-19-27)29-21-11-13-23-32(29)38/h1-23,30,37-38H,24H2/b35-33+,36-34+/t30-/m0/s1
InChIKeyMNXUGMGQBQYCCZ-VUHDGFPGSA-N
MW496.61 g/mol
LogP7.21
Rot. Bonds8

About 2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol

2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol (PubChem CID 136694432) has the molecular formula C34H28N2O2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol
PubChem CID136694432
Molecular FormulaC34H28N2O2
Molecular Weight496.61 g/mol
Exact Mass496.22
IUPAC Name2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol
SMILESOc1ccccc1/C(=N/C[C@H](/N=C(\c1ccccc1)c1ccccc1O)c1ccccc1)c1ccccc1
InChIInChI=1S/C34H28N2O2/c37-31-22-12-10-20-28(31)33(26-16-6-2-7-17-26)35-24-30(25-14-4-1-5-15-25)36-34(27-18-8-3-9-19-27)29-21-11-13-23-32(29)38/h1-23,30,37-38H,24H2/b35-33+,36-34+/t30-/m0/s1
InChIKeyMNXUGMGQBQYCCZ-VUHDGFPGSA-N
XLogP7.21
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 57.21
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-[N-[(1S,2S)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-1,2-diphenylethyl]-C-phenylcarbonimidoyl]phenol
CID 136694433
sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate
CID 135770205
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol
CID 136832737
1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea
CID 167530471
2-[(E)-N-(benzhydrylideneamino)-C-methylcarbonimidoyl]phenol
CID 135775332
N-(2,2-dimethoxyethyl)-1,1-diphenylmethanimine
CID 155675021
2-[N-methyl-C-(2-phenylpropyl)carbonimidoyl]phenol
CID 155745969
(benzhydrylideneamino)-triphenylphosphanium
CID 5257506
2-[C-(2-hydroxyphenyl)carbonohydrazonoyl]phenol
CID 135603489
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535
1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine
CID 102223669

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol?
The IUPAC name of 2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol (CID 136694432) is 2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol?
The canonical SMILES for 2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol is Oc1ccccc1/C(=N/C[C@H](/N=C(\c1ccccc1)c1ccccc1O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol?
The InChIKey is MNXUGMGQBQYCCZ-VUHDGFPGSA-N. The full InChI is InChI=1S/C34H28N2O2/c37-31-22-12-10-20-28(31)33(26-16-6-2-7-17-26)35-24-30(25-14-4-1-5-15-25)36-34(27-18-8-3-9-19-27)29-21-11-13-23-32(29)38/h1-23,30,37-38H,24H2/b35-33+,36-34+/t30-/m0/s1.
What are the key properties of 2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol?
2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol has a molecular weight of 496.61 g/mol, XLogP of 7.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(2R)-2-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-2-phenylethyl]-C-phenylcarbonimidoyl]phenol is sourced from PubChem (CID 136694432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).