1,4-diphenylbenzene;ethane;methanamine

C21H25N — CID 168951795

IUPAC1,4-diphenylbenzene;ethane;methanamine
SMILESCC.CN.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H14.C2H6.CH5N/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;2*1-2/h1-14H;1-2H3;2H2,1H3
InChIKeyZZDWAAFBXZREMW-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.62
Rot. Bonds2

About 1,4-diphenylbenzene;ethane;methanamine

1,4-diphenylbenzene;ethane;methanamine (PubChem CID 168951795) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 1,4-diphenylbenzene;ethane;methanamine.

Molecular Properties

Compound Name1,4-diphenylbenzene;ethane;methanamine
PubChem CID168951795
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name1,4-diphenylbenzene;ethane;methanamine
SMILESCC.CN.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H14.C2H6.CH5N/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;2*1-2/h1-14H;1-2H3;2H2,1H3
InChIKeyZZDWAAFBXZREMW-UHFFFAOYSA-N
XLogP5.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,4-diphenylbenzene;ethane;methanamine 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 1,4-diphenylbenzene;ethane;methanamine?
The IUPAC name of 1,4-diphenylbenzene;ethane;methanamine (CID 168951795) is 1,4-diphenylbenzene;ethane;methanamine.
What is the SMILES notation for 1,4-diphenylbenzene;ethane;methanamine?
The canonical SMILES for 1,4-diphenylbenzene;ethane;methanamine is CC.CN.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1,4-diphenylbenzene;ethane;methanamine?
The InChIKey is ZZDWAAFBXZREMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.C2H6.CH5N/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16;2*1-2/h1-14H;1-2H3;2H2,1H3.
What are the key properties of 1,4-diphenylbenzene;ethane;methanamine?
1,4-diphenylbenzene;ethane;methanamine has a molecular weight of 291.44 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenylbenzene;ethane;methanamine is sourced from PubChem (CID 168951795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).