1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol

C26H18Cl4N2O2 — CID 594431

IUPAC1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol
SMILESOc1ccc2c(/C=N/Cc3ccc(Cl)cc3Cl)c(O)ccc2c1/C=N/Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H18Cl4N2O2/c27-17-3-1-15(23(29)9-17)11-31-13-21-19-5-8-26(34)22(20(19)6-7-25(21)33)14-32-12-16-2-4-18(28)10-24(16)30/h1-10,13-14,33-34H,11-12H2/b31-13+,32-14+
InChIKeyFHXSRRQDVQNTHH-GCFMLEDASA-N
MW532.25 g/mol
LogP8.10
Rot. Bonds6

About 1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol

1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol (PubChem CID 594431) has the molecular formula C26H18Cl4N2O2 and a molecular weight of 532.25 g/mol. Its IUPAC name is 1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol.

Molecular Properties

Compound Name1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol
PubChem CID594431
Molecular FormulaC26H18Cl4N2O2
Molecular Weight532.25 g/mol
Exact Mass530.01
IUPAC Name1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol
SMILESOc1ccc2c(/C=N/Cc3ccc(Cl)cc3Cl)c(O)ccc2c1/C=N/Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H18Cl4N2O2/c27-17-3-1-15(23(29)9-17)11-31-13-21-19-5-8-26(34)22(20(19)6-7-25(21)33)14-32-12-16-2-4-18(28)10-24(16)30/h1-10,13-14,33-34H,11-12H2/b31-13+,32-14+
InChIKeyFHXSRRQDVQNTHH-GCFMLEDASA-N
XLogP8.10
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.25
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol?
The IUPAC name of 1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol (CID 594431) is 1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol.
What is the SMILES notation for 1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol?
The canonical SMILES for 1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol is Oc1ccc2c(/C=N/Cc3ccc(Cl)cc3Cl)c(O)ccc2c1/C=N/Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol?
The InChIKey is FHXSRRQDVQNTHH-GCFMLEDASA-N. The full InChI is InChI=1S/C26H18Cl4N2O2/c27-17-3-1-15(23(29)9-17)11-31-13-21-19-5-8-26(34)22(20(19)6-7-25(21)33)14-32-12-16-2-4-18(28)10-24(16)30/h1-10,13-14,33-34H,11-12H2/b31-13+,32-14+.
What are the key properties of 1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol?
1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol has a molecular weight of 532.25 g/mol, XLogP of 8.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[(2,4-dichlorophenyl)methyliminomethyl]naphthalene-2,6-diol is sourced from PubChem (CID 594431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).