1H-azepine;stilbene

C20H19N — CID 174433083

IUPAC1H-azepine;stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.C1=CC=CNC=C1
InChIInChI=1S/C14H12.C6H7N/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-4-6-7-5-3-1/h1-12H;1-7H
InChIKeyICHOHHPIMJBWJM-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.03
Rot. Bonds2

About 1H-azepine;stilbene

1H-azepine;stilbene (PubChem CID 174433083) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is 1H-azepine;stilbene.

Molecular Properties

Compound Name1H-azepine;stilbene
PubChem CID174433083
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC Name1H-azepine;stilbene
SMILESC(=Cc1ccccc1)c1ccccc1.C1=CC=CNC=C1
InChIInChI=1S/C14H12.C6H7N/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-4-6-7-5-3-1/h1-12H;1-7H
InChIKeyICHOHHPIMJBWJM-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1H-azepine;3-phenylprop-2-enoic acid
CID 174842198
CID 70567885
CID 70567885
CID 70569152
CID 70569152
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
stilbene azide
CID 159769295
N,N-dimethylmethanamine;stilbene
CID 174368184
2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole
CID 102597288
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219

Frequently Asked Questions

What is the IUPAC name of 1H-azepine;stilbene?
The IUPAC name of 1H-azepine;stilbene (CID 174433083) is 1H-azepine;stilbene.
What is the SMILES notation for 1H-azepine;stilbene?
The canonical SMILES for 1H-azepine;stilbene is C(=Cc1ccccc1)c1ccccc1.C1=CC=CNC=C1.
What is the InChIKey of 1H-azepine;stilbene?
The InChIKey is ICHOHHPIMJBWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C6H7N/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-2-4-6-7-5-3-1/h1-12H;1-7H.
What are the key properties of 1H-azepine;stilbene?
1H-azepine;stilbene has a molecular weight of 273.38 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;stilbene is sourced from PubChem (CID 174433083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).