3,5,5-triphenyl-2-benzazepine

C28H21N — CID 13397815

IUPAC3,5,5-triphenyl-2-benzazepine
SMILESC1=NC(c2ccccc2)=CC(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H21N/c1-4-12-22(13-5-1)27-20-28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)26-19-11-10-14-23(26)21-29-27/h1-21H
InChIKeyIUOIHOXQISJNMM-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.49
Rot. Bonds3

About 3,5,5-triphenyl-2-benzazepine

3,5,5-triphenyl-2-benzazepine (PubChem CID 13397815) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is 3,5,5-triphenyl-2-benzazepine.

Molecular Properties

Compound Name3,5,5-triphenyl-2-benzazepine
PubChem CID13397815
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name3,5,5-triphenyl-2-benzazepine
SMILESC1=NC(c2ccccc2)=CC(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C28H21N/c1-4-12-22(13-5-1)27-20-28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)26-19-11-10-14-23(26)21-29-27/h1-21H
InChIKeyIUOIHOXQISJNMM-UHFFFAOYSA-N
XLogP6.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1,8,9,10,11-pentakis-phenyl-11λ5-phosphatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene 11-oxide
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Frequently Asked Questions

What is the IUPAC name of 3,5,5-triphenyl-2-benzazepine?
The IUPAC name of 3,5,5-triphenyl-2-benzazepine (CID 13397815) is 3,5,5-triphenyl-2-benzazepine.
What is the SMILES notation for 3,5,5-triphenyl-2-benzazepine?
The canonical SMILES for 3,5,5-triphenyl-2-benzazepine is C1=NC(c2ccccc2)=CC(c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of 3,5,5-triphenyl-2-benzazepine?
The InChIKey is IUOIHOXQISJNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c1-4-12-22(13-5-1)27-20-28(24-15-6-2-7-16-24,25-17-8-3-9-18-25)26-19-11-10-14-23(26)21-29-27/h1-21H.
What are the key properties of 3,5,5-triphenyl-2-benzazepine?
3,5,5-triphenyl-2-benzazepine has a molecular weight of 371.48 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-triphenyl-2-benzazepine is sourced from PubChem (CID 13397815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).