bis[(2-hydroxynaphthalen-1-yl)methylidene]azanium

C22H16NO2+ — CID 91048561

IUPACbis[(2-hydroxynaphthalen-1-yl)methylidene]azanium
SMILESOc1ccc2ccccc2c1C=[N+]=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C22H15NO2/c24-21-11-9-15-5-1-3-7-17(15)19(21)13-23-14-20-18-8-4-2-6-16(18)10-12-22(20)25/h1-14H,(H,23,24,25)/p+1
InChIKeyUGQKFYLMPGXWJN-UHFFFAOYSA-O
MW326.38 g/mol
LogP4.01
Rot. Bonds2

About bis[(2-hydroxynaphthalen-1-yl)methylidene]azanium

bis[(2-hydroxynaphthalen-1-yl)methylidene]azanium (PubChem CID 91048561) has the molecular formula C22H16NO2+ and a molecular weight of 326.38 g/mol. Its IUPAC name is bis[(2-hydroxynaphthalen-1-yl)methylidene]azanium.

Molecular Properties

Compound Namebis[(2-hydroxynaphthalen-1-yl)methylidene]azanium
PubChem CID91048561
Molecular FormulaC22H16NO2+
Molecular Weight326.38 g/mol
Exact Mass326.12
IUPAC Namebis[(2-hydroxynaphthalen-1-yl)methylidene]azanium
SMILESOc1ccc2ccccc2c1C=[N+]=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C22H15NO2/c24-21-11-9-15-5-1-3-7-17(15)19(21)13-23-14-20-18-8-4-2-6-16(18)10-12-22(20)25/h1-14H,(H,23,24,25)/p+1
InChIKeyUGQKFYLMPGXWJN-UHFFFAOYSA-O
XLogP4.01
TPSA54.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[(2-hydroxynaphthalen-1-yl)methylidene]azanium?
The IUPAC name of bis[(2-hydroxynaphthalen-1-yl)methylidene]azanium (CID 91048561) is bis[(2-hydroxynaphthalen-1-yl)methylidene]azanium.
What is the SMILES notation for bis[(2-hydroxynaphthalen-1-yl)methylidene]azanium?
The canonical SMILES for bis[(2-hydroxynaphthalen-1-yl)methylidene]azanium is Oc1ccc2ccccc2c1C=[N+]=Cc1c(O)ccc2ccccc12.
What is the InChIKey of bis[(2-hydroxynaphthalen-1-yl)methylidene]azanium?
The InChIKey is UGQKFYLMPGXWJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H15NO2/c24-21-11-9-15-5-1-3-7-17(15)19(21)13-23-14-20-18-8-4-2-6-16(18)10-12-22(20)25/h1-14H,(H,23,24,25)/p+1.
What are the key properties of bis[(2-hydroxynaphthalen-1-yl)methylidene]azanium?
bis[(2-hydroxynaphthalen-1-yl)methylidene]azanium has a molecular weight of 326.38 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-hydroxynaphthalen-1-yl)methylidene]azanium is sourced from PubChem (CID 91048561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).