2,2-bis(4-aminophenyl)ethenone

C14H12N2O — CID 87848132

IUPAC2,2-bis(4-aminophenyl)ethenone
SMILESNc1ccc(C(=C=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C14H12N2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8H,15-16H2
InChIKeyUIBAIBCUKFYUDF-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.11
Rot. Bonds2

About 2,2-bis(4-aminophenyl)ethenone

2,2-bis(4-aminophenyl)ethenone (PubChem CID 87848132) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,2-bis(4-aminophenyl)ethenone.

Molecular Properties

Compound Name2,2-bis(4-aminophenyl)ethenone
PubChem CID87848132
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2,2-bis(4-aminophenyl)ethenone
SMILESNc1ccc(C(=C=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C14H12N2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8H,15-16H2
InChIKeyUIBAIBCUKFYUDF-UHFFFAOYSA-N
XLogP2.11
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-aminophenyl)ethenone?
The IUPAC name of 2,2-bis(4-aminophenyl)ethenone (CID 87848132) is 2,2-bis(4-aminophenyl)ethenone.
What is the SMILES notation for 2,2-bis(4-aminophenyl)ethenone?
The canonical SMILES for 2,2-bis(4-aminophenyl)ethenone is Nc1ccc(C(=C=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 2,2-bis(4-aminophenyl)ethenone?
The InChIKey is UIBAIBCUKFYUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8H,15-16H2.
What are the key properties of 2,2-bis(4-aminophenyl)ethenone?
2,2-bis(4-aminophenyl)ethenone has a molecular weight of 224.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-aminophenyl)ethenone is sourced from PubChem (CID 87848132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).