1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol

C35H26N2O2 — CID 2827239

IUPAC1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc(Cc2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C35H26N2O2/c38-34-19-13-26-5-1-3-7-30(26)32(34)22-36-28-15-9-24(10-16-28)21-25-11-17-29(18-12-25)37-23-33-31-8-4-2-6-27(31)14-20-35(33)39/h1-20,22-23,38-39H,21H2/b36-22+,37-23+
InChIKeyFECLBTRXQLVKAQ-BVDGQYGUSA-N
MW506.61 g/mol
LogP8.50
Rot. Bonds6

About 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol

1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol (PubChem CID 2827239) has the molecular formula C35H26N2O2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol
PubChem CID2827239
Molecular FormulaC35H26N2O2
Molecular Weight506.61 g/mol
Exact Mass506.20
IUPAC Name1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccc(Cc2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)cc1
InChIInChI=1S/C35H26N2O2/c38-34-19-13-26-5-1-3-7-30(26)32(34)22-36-28-15-9-24(10-16-28)21-25-11-17-29(18-12-25)37-23-33-31-8-4-2-6-27(31)14-20-35(33)39/h1-20,22-23,38-39H,21H2/b36-22+,37-23+
InChIKeyFECLBTRXQLVKAQ-BVDGQYGUSA-N
XLogP8.50
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 58.50
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-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol (CID 2827239) is 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1ccc(Cc2ccc(/N=C/c3c(O)ccc4ccccc34)cc2)cc1.
What is the InChIKey of 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol?
The InChIKey is FECLBTRXQLVKAQ-BVDGQYGUSA-N. The full InChI is InChI=1S/C35H26N2O2/c38-34-19-13-26-5-1-3-7-30(26)32(34)22-36-28-15-9-24(10-16-28)21-25-11-17-29(18-12-25)37-23-33-31-8-4-2-6-27(31)14-20-35(33)39/h1-20,22-23,38-39H,21H2/b36-22+,37-23+.
What are the key properties of 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol?
1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol has a molecular weight of 506.61 g/mol, XLogP of 8.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 2827239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).