1,2-bis(4-phenoxyphenyl)guanidine

C25H21N3O2 — CID 10810698

IUPAC1,2-bis(4-phenoxyphenyl)guanidine
SMILESN/C(=N\c1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H21N3O2/c26-25(27-19-11-15-23(16-12-19)29-21-7-3-1-4-8-21)28-20-13-17-24(18-14-20)30-22-9-5-2-6-10-22/h1-18H,(H3,26,27,28)
InChIKeyASJDFFSNGNMGAK-UHFFFAOYSA-N
MW395.46 g/mol
LogP6.33
Rot. Bonds6

About 1,2-bis(4-phenoxyphenyl)guanidine

1,2-bis(4-phenoxyphenyl)guanidine (PubChem CID 10810698) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1,2-bis(4-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name1,2-bis(4-phenoxyphenyl)guanidine
PubChem CID10810698
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name1,2-bis(4-phenoxyphenyl)guanidine
SMILESN/C(=N\c1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H21N3O2/c26-25(27-19-11-15-23(16-12-19)29-21-7-3-1-4-8-21)28-20-13-17-24(18-14-20)30-22-9-5-2-6-10-22/h1-18H,(H3,26,27,28)
InChIKeyASJDFFSNGNMGAK-UHFFFAOYSA-N
XLogP6.33
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1,2-bis(4-phenoxyphenyl)guanidine?
The IUPAC name of 1,2-bis(4-phenoxyphenyl)guanidine (CID 10810698) is 1,2-bis(4-phenoxyphenyl)guanidine.
What is the SMILES notation for 1,2-bis(4-phenoxyphenyl)guanidine?
The canonical SMILES for 1,2-bis(4-phenoxyphenyl)guanidine is N/C(=N\c1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1,2-bis(4-phenoxyphenyl)guanidine?
The InChIKey is ASJDFFSNGNMGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c26-25(27-19-11-15-23(16-12-19)29-21-7-3-1-4-8-21)28-20-13-17-24(18-14-20)30-22-9-5-2-6-10-22/h1-18H,(H3,26,27,28).
What are the key properties of 1,2-bis(4-phenoxyphenyl)guanidine?
1,2-bis(4-phenoxyphenyl)guanidine has a molecular weight of 395.46 g/mol, XLogP of 6.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-phenoxyphenyl)guanidine is sourced from PubChem (CID 10810698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).