1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine

C23H19N3O — CID 54040287

IUPAC1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine
SMILES[H]/N=C(\N)N(c1ccc(O)c2ccccc12)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H19N3O/c24-23(25)26(19-12-13-21(27)17-6-2-1-5-16(17)19)20-11-10-15-9-8-14-4-3-7-18(20)22(14)15/h1-7,10-13,27H,8-9H2,(H3,24,25)
InChIKeyLLVHOSZFKPZOCA-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.83
Rot. Bonds2

About 1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine

1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine (PubChem CID 54040287) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine
PubChem CID54040287
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine
SMILES[H]/N=C(\N)N(c1ccc(O)c2ccccc12)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C23H19N3O/c24-23(25)26(19-12-13-21(27)17-6-2-1-5-16(17)19)20-11-10-15-9-8-14-4-3-7-18(20)22(14)15/h1-7,10-13,27H,8-9H2,(H3,24,25)
InChIKeyLLVHOSZFKPZOCA-UHFFFAOYSA-N
XLogP4.83
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.83
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-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine?
The IUPAC name of 1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine (CID 54040287) is 1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine.
What is the SMILES notation for 1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine?
The canonical SMILES for 1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine is [H]/N=C(\N)N(c1ccc(O)c2ccccc12)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine?
The InChIKey is LLVHOSZFKPZOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c24-23(25)26(19-12-13-21(27)17-6-2-1-5-16(17)19)20-11-10-15-9-8-14-4-3-7-18(20)22(14)15/h1-7,10-13,27H,8-9H2,(H3,24,25).
What are the key properties of 1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine?
1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine has a molecular weight of 353.43 g/mol, XLogP of 4.83, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydroacenaphthylen-5-yl)-1-(4-hydroxynaphthalen-1-yl)guanidine is sourced from PubChem (CID 54040287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).