1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine

C23H17N3O — CID 67554899

IUPAC1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine
SMILES[H]/N=C(\N)N(c1c(O)ccc2ccccc12)c1ccc2c3c(cccc13)C=C2
InChIInChI=1S/C23H17N3O/c24-23(25)26(22-17-6-2-1-4-14(17)11-13-20(22)27)19-12-10-16-9-8-15-5-3-7-18(19)21(15)16/h1-13,27H,(H3,24,25)
InChIKeySXGBCERZVFYLJR-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.21
Rot. Bonds2

About 1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine

1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine (PubChem CID 67554899) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine
PubChem CID67554899
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine
SMILES[H]/N=C(\N)N(c1c(O)ccc2ccccc12)c1ccc2c3c(cccc13)C=C2
InChIInChI=1S/C23H17N3O/c24-23(25)26(22-17-6-2-1-4-14(17)11-13-20(22)27)19-12-10-16-9-8-15-5-3-7-18(19)21(15)16/h1-13,27H,(H3,24,25)
InChIKeySXGBCERZVFYLJR-UHFFFAOYSA-N
XLogP5.21
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine?
The IUPAC name of 1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine (CID 67554899) is 1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine.
What is the SMILES notation for 1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine?
The canonical SMILES for 1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine is [H]/N=C(\N)N(c1c(O)ccc2ccccc12)c1ccc2c3c(cccc13)C=C2.
What is the InChIKey of 1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine?
The InChIKey is SXGBCERZVFYLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c24-23(25)26(22-17-6-2-1-4-14(17)11-13-20(22)27)19-12-10-16-9-8-15-5-3-7-18(19)21(15)16/h1-13,27H,(H3,24,25).
What are the key properties of 1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine?
1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine has a molecular weight of 351.41 g/mol, XLogP of 5.21, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acenaphthylen-5-yl-1-(2-hydroxynaphthalen-1-yl)guanidine is sourced from PubChem (CID 67554899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).