1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol

C28H28N2O2 — CID 4037659

IUPAC1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/CCCCCC/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C28H28N2O2/c31-27-15-13-21-9-3-5-11-23(21)25(27)19-29-17-7-1-2-8-18-30-20-26-24-12-6-4-10-22(24)14-16-28(26)32/h3-6,9-16,19-20,31-32H,1-2,7-8,17-18H2/b29-19+,30-20+
InChIKeyALAJPMPJASASQJ-CZYCKNNWSA-N
MW424.54 g/mol
LogP6.50
Rot. Bonds9

About 1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol

1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol (PubChem CID 4037659) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol
PubChem CID4037659
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/CCCCCC/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C28H28N2O2/c31-27-15-13-21-9-3-5-11-23(21)25(27)19-29-17-7-1-2-8-18-30-20-26-24-12-6-4-10-22(24)14-16-28(26)32/h3-6,9-16,19-20,31-32H,1-2,7-8,17-18H2/b29-19+,30-20+
InChIKeyALAJPMPJASASQJ-CZYCKNNWSA-N
XLogP6.50
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol (CID 4037659) is 1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/CCCCCC/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol?
The InChIKey is ALAJPMPJASASQJ-CZYCKNNWSA-N. The full InChI is InChI=1S/C28H28N2O2/c31-27-15-13-21-9-3-5-11-23(21)25(27)19-29-17-7-1-2-8-18-30-20-26-24-12-6-4-10-22(24)14-16-28(26)32/h3-6,9-16,19-20,31-32H,1-2,7-8,17-18H2/b29-19+,30-20+.
What are the key properties of 1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol?
1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol has a molecular weight of 424.54 g/mol, XLogP of 6.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-hydroxynaphthalen-1-yl)methylideneamino]hexyliminomethyl]naphthalen-2-ol is sourced from PubChem (CID 4037659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).