(Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine

C27H22Cl2N2O2 — CID 134372561

IUPAC(Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine
SMILESCOc1ccc2cc(C(/C=C(\N)c3cc(Cl)cc(Cl)c3)=N\OCc3ccccc3)ccc2c1
InChIInChI=1S/C27H22Cl2N2O2/c1-32-25-10-9-19-11-21(8-7-20(19)14-25)27(31-33-17-18-5-3-2-4-6-18)16-26(30)22-12-23(28)15-24(29)13-22/h2-16H,17,30H2,1H3/b26-16-,31-27-
InChIKeyXKLUHRFLIDFKMR-XTZVHRKXSA-N
MW477.39 g/mol
LogP7.08
Rot. Bonds7

About (Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine

(Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine (PubChem CID 134372561) has the molecular formula C27H22Cl2N2O2 and a molecular weight of 477.39 g/mol. Its IUPAC name is (Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine
PubChem CID134372561
Molecular FormulaC27H22Cl2N2O2
Molecular Weight477.39 g/mol
Exact Mass476.11
IUPAC Name(Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine
SMILESCOc1ccc2cc(C(/C=C(\N)c3cc(Cl)cc(Cl)c3)=N\OCc3ccccc3)ccc2c1
InChIInChI=1S/C27H22Cl2N2O2/c1-32-25-10-9-19-11-21(8-7-20(19)14-25)27(31-33-17-18-5-3-2-4-6-18)16-26(30)22-12-23(28)15-24(29)13-22/h2-16H,17,30H2,1H3/b26-16-,31-27-
InChIKeyXKLUHRFLIDFKMR-XTZVHRKXSA-N
XLogP7.08
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.39
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine?
The IUPAC name of (Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine (CID 134372561) is (Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine.
What is the SMILES notation for (Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine?
The canonical SMILES for (Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine is COc1ccc2cc(C(/C=C(\N)c3cc(Cl)cc(Cl)c3)=N\OCc3ccccc3)ccc2c1.
What is the InChIKey of (Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine?
The InChIKey is XKLUHRFLIDFKMR-XTZVHRKXSA-N. The full InChI is InChI=1S/C27H22Cl2N2O2/c1-32-25-10-9-19-11-21(8-7-20(19)14-25)27(31-33-17-18-5-3-2-4-6-18)16-26(30)22-12-23(28)15-24(29)13-22/h2-16H,17,30H2,1H3/b26-16-,31-27-.
What are the key properties of (Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine?
(Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine has a molecular weight of 477.39 g/mol, XLogP of 7.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-1-(3,5-dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)-3-phenylmethoxyiminoprop-1-en-1-amine is sourced from PubChem (CID 134372561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).