5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol

C21H14F3NO — CID 154717802

IUPAC5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol
SMILESOC1N=C(c2ccccc2)c2cc(C(F)(F)F)ccc2-c2ccccc21
InChIInChI=1S/C21H14F3NO/c22-21(23,24)14-10-11-16-15-8-4-5-9-17(15)20(26)25-19(18(16)12-14)13-6-2-1-3-7-13/h1-12,20,26H
InChIKeyVJKPBMVUDHYIKF-UHFFFAOYSA-N
MW353.34 g/mol
LogP5.21
Rot. Bonds1

About 5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol

5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol (PubChem CID 154717802) has the molecular formula C21H14F3NO and a molecular weight of 353.34 g/mol. Its IUPAC name is 5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol.

Molecular Properties

Compound Name5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol
PubChem CID154717802
Molecular FormulaC21H14F3NO
Molecular Weight353.34 g/mol
Exact Mass353.10
IUPAC Name5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol
SMILESOC1N=C(c2ccccc2)c2cc(C(F)(F)F)ccc2-c2ccccc21
InChIInChI=1S/C21H14F3NO/c22-21(23,24)14-10-11-16-15-8-4-5-9-17(15)20(26)25-19(18(16)12-14)13-6-2-1-3-7-13/h1-12,20,26H
InChIKeyVJKPBMVUDHYIKF-UHFFFAOYSA-N
XLogP5.21
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.34
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5H-benzo[d][2]benzazepin-5-ol
CID 12328827
1-(4-hydroxymethyl-phenyl)-ethanone O-(2-trifluoromethyl-biphenyl-4-ylmethyl)-oxime
CID 86595996
[3-[2-(Aminomethyl)-5-(trifluoromethyl)phenyl]phenyl]methanol
CID 135353908
[3-[2-(Aminomethyl)-4-(trifluoromethyl)phenyl]phenyl]methanol
CID 135353913
1-[3,5-Bis(trifluoromethyl)phenyl]-2-[[2-(2-ethyl-4-fluoro-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methylideneamino]propan-1-ol
CID 144670134
[4-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol
CID 146971689
2-[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]ethanol
CID 148043755
[2-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol
CID 148731436
[3-[6-(trifluoromethyl)-1H-isoindol-4-yl]phenyl]methanol
CID 161318036
4-(hydroxymethyl)-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzonitrile
CID 161726885
(1R)-3-benzylimino-1,3-diphenylpropan-1-ol
CID 134950461
amino N-[(4-methylphenyl)methyl]-4-phenyl-3-(trifluoromethyl)benzenecarboximidate
CID 143910322

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol?
The IUPAC name of 5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol (CID 154717802) is 5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol.
What is the SMILES notation for 5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol?
The canonical SMILES for 5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol is OC1N=C(c2ccccc2)c2cc(C(F)(F)F)ccc2-c2ccccc21.
What is the InChIKey of 5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol?
The InChIKey is VJKPBMVUDHYIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO/c22-21(23,24)14-10-11-16-15-8-4-5-9-17(15)20(26)25-19(18(16)12-14)13-6-2-1-3-7-13/h1-12,20,26H.
What are the key properties of 5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol?
5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol has a molecular weight of 353.34 g/mol, XLogP of 5.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepin-7-ol is sourced from PubChem (CID 154717802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).