2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol

C40H35ClN4O2 — CID 136669335

IUPAC2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\c1ccccc1/N=C(\C)c1ccccc1O)C(=Cc1ccc(Cl)cc1)/C(C)=N/c1ccccc1/N=C(\C)c1ccccc1O
InChIInChI=1S/C40H35ClN4O2/c1-26(32-13-5-11-19-39(32)46)42-35-15-7-9-17-37(35)44-28(3)34(25-30-21-23-31(41)24-22-30)29(4)45-38-18-10-8-16-36(38)43-27(2)33-14-6-12-20-40(33)47/h5-25,46-47H,1-4H3/b42-26+,43-27+,44-28+,45-29+
InChIKeyGOCZGJXXDRUMKJ-QHCKKMEJSA-N
MW639.20 g/mol
LogP11.00
Rot. Bonds9

About 2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol

2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol (PubChem CID 136669335) has the molecular formula C40H35ClN4O2 and a molecular weight of 639.20 g/mol. Its IUPAC name is 2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol
PubChem CID136669335
Molecular FormulaC40H35ClN4O2
Molecular Weight639.20 g/mol
Exact Mass638.24
IUPAC Name2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\c1ccccc1/N=C(\C)c1ccccc1O)C(=Cc1ccc(Cl)cc1)/C(C)=N/c1ccccc1/N=C(\C)c1ccccc1O
InChIInChI=1S/C40H35ClN4O2/c1-26(32-13-5-11-19-39(32)46)42-35-15-7-9-17-37(35)44-28(3)34(25-30-21-23-31(41)24-22-30)29(4)45-38-18-10-8-16-36(38)43-27(2)33-14-6-12-20-40(33)47/h5-25,46-47H,1-4H3/b42-26+,43-27+,44-28+,45-29+
InChIKeyGOCZGJXXDRUMKJ-QHCKKMEJSA-N
XLogP11.00
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.20
LogP ≤ 511.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol (CID 136669335) is 2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol is C/C(=N\c1ccccc1/N=C(\C)c1ccccc1O)C(=Cc1ccc(Cl)cc1)/C(C)=N/c1ccccc1/N=C(\C)c1ccccc1O.
What is the InChIKey of 2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol?
The InChIKey is GOCZGJXXDRUMKJ-QHCKKMEJSA-N. The full InChI is InChI=1S/C40H35ClN4O2/c1-26(32-13-5-11-19-39(32)46)42-35-15-7-9-17-37(35)44-28(3)34(25-30-21-23-31(41)24-22-30)29(4)45-38-18-10-8-16-36(38)43-27(2)33-14-6-12-20-40(33)47/h5-25,46-47H,1-4H3/b42-26+,43-27+,44-28+,45-29+.
What are the key properties of 2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol?
2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol has a molecular weight of 639.20 g/mol, XLogP of 11.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2-[[3-[(4-chlorophenyl)methylidene]-4-[2-[1-(2-hydroxyphenyl)ethylideneamino]phenyl]iminopentan-2-ylidene]amino]phenyl]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 136669335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).