2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone

C28H28N2O — CID 102341898

IUPAC2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone
SMILESCN(C)c1ccc(C(C(=O)c2ccc3ccccc3c2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C28H28N2O/c1-29(2)25-15-11-21(12-16-25)27(22-13-17-26(18-14-22)30(3)4)28(31)24-10-9-20-7-5-6-8-23(20)19-24/h5-19,27H,1-4H3
InChIKeyHTTJNAWIGLSULC-UHFFFAOYSA-N
MW408.55 g/mol
LogP5.99
Rot. Bonds6

About 2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone

2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone (PubChem CID 102341898) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is 2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone
PubChem CID102341898
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC Name2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone
SMILESCN(C)c1ccc(C(C(=O)c2ccc3ccccc3c2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C28H28N2O/c1-29(2)25-15-11-21(12-16-25)27(22-13-17-26(18-14-22)30(3)4)28(31)24-10-9-20-7-5-6-8-23(20)19-24/h5-19,27H,1-4H3
InChIKeyHTTJNAWIGLSULC-UHFFFAOYSA-N
XLogP5.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze 2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone?
The IUPAC name of 2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone (CID 102341898) is 2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone?
The canonical SMILES for 2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone is CN(C)c1ccc(C(C(=O)c2ccc3ccccc3c2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone?
The InChIKey is HTTJNAWIGLSULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O/c1-29(2)25-15-11-21(12-16-25)27(22-13-17-26(18-14-22)30(3)4)28(31)24-10-9-20-7-5-6-8-23(20)19-24/h5-19,27H,1-4H3.
What are the key properties of 2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone?
2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone has a molecular weight of 408.55 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[4-(dimethylamino)phenyl]-1-naphthalen-2-ylethanone is sourced from PubChem (CID 102341898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).