2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine

C26H19N3O — CID 67673064

IUPAC2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine
SMILESN/C(=N\c1ccc2c3c(cccc13)C=C2)Nc1ccc2c(c1)C(O)c1ccccc1-2
InChIInChI=1S/C26H19N3O/c27-26(29-23-13-10-16-9-8-15-4-3-7-21(23)24(15)16)28-17-11-12-19-18-5-1-2-6-20(18)25(30)22(19)14-17/h1-14,25,30H,(H3,27,28,29)
InChIKeyYAXRQFAWTWFGFA-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.44
Rot. Bonds2

About 2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine

2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine (PubChem CID 67673064) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine.

Molecular Properties

Compound Name2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine
PubChem CID67673064
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC Name2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine
SMILESN/C(=N\c1ccc2c3c(cccc13)C=C2)Nc1ccc2c(c1)C(O)c1ccccc1-2
InChIInChI=1S/C26H19N3O/c27-26(29-23-13-10-16-9-8-15-4-3-7-21(23)24(15)16)28-17-11-12-19-18-5-1-2-6-20(18)25(30)22(19)14-17/h1-14,25,30H,(H3,27,28,29)
InChIKeyYAXRQFAWTWFGFA-UHFFFAOYSA-N
XLogP5.44
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.44
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 2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine?
The IUPAC name of 2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine (CID 67673064) is 2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine.
What is the SMILES notation for 2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine?
The canonical SMILES for 2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine is N/C(=N\c1ccc2c3c(cccc13)C=C2)Nc1ccc2c(c1)C(O)c1ccccc1-2.
What is the InChIKey of 2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine?
The InChIKey is YAXRQFAWTWFGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O/c27-26(29-23-13-10-16-9-8-15-4-3-7-21(23)24(15)16)28-17-11-12-19-18-5-1-2-6-20(18)25(30)22(19)14-17/h1-14,25,30H,(H3,27,28,29).
What are the key properties of 2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine?
2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine has a molecular weight of 389.46 g/mol, XLogP of 5.44, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acenaphthylen-5-yl-1-(9-hydroxy-9H-fluoren-2-yl)guanidine is sourced from PubChem (CID 67673064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).