6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol

C23H15NO2 — CID 166441311

IUPAC6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol
SMILESOc1cccc2c1-c1c(ccc3ccccc13)N=C(c1ccccc1)O2
InChIInChI=1S/C23H15NO2/c25-19-11-6-12-20-22(19)21-17-10-5-4-7-15(17)13-14-18(21)24-23(26-20)16-8-2-1-3-9-16/h1-14,25H
InChIKeyXGAGEFDVFQTLGE-UHFFFAOYSA-N
MW337.38 g/mol
LogP5.68
Rot. Bonds1

About 6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol

6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol (PubChem CID 166441311) has the molecular formula C23H15NO2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol.

Molecular Properties

Compound Name6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol
PubChem CID166441311
Molecular FormulaC23H15NO2
Molecular Weight337.38 g/mol
Exact Mass337.11
IUPAC Name6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol
SMILESOc1cccc2c1-c1c(ccc3ccccc13)N=C(c1ccccc1)O2
InChIInChI=1S/C23H15NO2/c25-19-11-6-12-20-22(19)21-17-10-5-4-7-15(17)13-14-18(21)24-23(26-20)16-8-2-1-3-9-16/h1-14,25H
InChIKeyXGAGEFDVFQTLGE-UHFFFAOYSA-N
XLogP5.68
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.38
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1-phenylnaphthalen-2-yl)phosphane;hydrochloride
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7-(2-hydroxynaphthalen-1-yl)-1-benzofuran-6-ol
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cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
1-(4-aminophenyl)naphthalen-2-ol
CID 71327010
N,N-diphenyl-4-[18-[4-(N-phenylanilino)phenyl]-6,19-dioxa-8,17-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3(12),4(9),5(25),7,10,13(23),14,16(24),17,20-dodecaen-7-yl]aniline
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Frequently Asked Questions

What is the IUPAC name of 6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol?
The IUPAC name of 6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol (CID 166441311) is 6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol.
What is the SMILES notation for 6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol?
The canonical SMILES for 6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol is Oc1cccc2c1-c1c(ccc3ccccc13)N=C(c1ccccc1)O2.
What is the InChIKey of 6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol?
The InChIKey is XGAGEFDVFQTLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO2/c25-19-11-6-12-20-22(19)21-17-10-5-4-7-15(17)13-14-18(21)24-23(26-20)16-8-2-1-3-9-16/h1-14,25H.
What are the key properties of 6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol?
6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol has a molecular weight of 337.38 g/mol, XLogP of 5.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylnaphtho[2,1-d][1,3]benzoxazepin-1-ol is sourced from PubChem (CID 166441311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).