4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine

C24H23NOS — CID 3069616

IUPAC4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine
SMILESc1ccc(C2(N3CCOCC3)c3ccccc3CSc3ccccc32)cc1
InChIInChI=1S/C24H23NOS/c1-2-9-20(10-3-1)24(25-14-16-26-17-15-25)21-11-5-4-8-19(21)18-27-23-13-7-6-12-22(23)24/h1-13H,14-18H2
InChIKeyXFMLQNGZOMTBDI-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.92
Rot. Bonds2

About 4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine

4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine (PubChem CID 3069616) has the molecular formula C24H23NOS and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine.

Molecular Properties

Compound Name4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine
PubChem CID3069616
Molecular FormulaC24H23NOS
Molecular Weight373.52 g/mol
Exact Mass373.15
IUPAC Name4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine
SMILESc1ccc(C2(N3CCOCC3)c3ccccc3CSc3ccccc32)cc1
InChIInChI=1S/C24H23NOS/c1-2-9-20(10-3-1)24(25-14-16-26-17-15-25)21-11-5-4-8-19(21)18-27-23-13-7-6-12-22(23)24/h1-13H,14-18H2
InChIKeyXFMLQNGZOMTBDI-UHFFFAOYSA-N
XLogP4.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2(1H)-isoquinolinyl)ethyl 2-[(4-methylphenyl)sulfanyl]ethyl ether
CID 1825654
(2S)-4-[(3,4-dimethylphenyl)methyl]-2-(phenylsulfanylmethyl)morpholine
CID 127027905
Piperidine, 1-(6,11-dihydro-11-phenyldibenzo(b,e)thiepin-11-yl)-
CID 3069615
2-(3,4-dihydro-2(1H)-isoquinolinyl)ethyl 2-(phenylsulfanyl)ethyl ether
CID 1825666
Morpholine, 4-(2-(6,11-dihydrodibenzo(b,e)thiepin-2-yl)-1-thioxoethyl)-
CID 206170
4-(3-{2-[(Phenylsulfanyl)methyl]phenyl}propyl)morpholine
CID 10245904
1-(6,11-Dihydrobenzo[c][1]benzothiepin-11-yl)-4-(2-ethoxyethyl)piperazine
CID 5224359
4-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine
CID 69130417
4-[[2-[(R)-(2-fluorophenyl)sulfanyl-phenylmethyl]phenyl]methyl]morpholine
CID 69609151
4-[2-(Phenylsulfanyl)benzyl]morpholine
CID 1224279
N-(3-morpholin-4-ylpropyl)-11-phenyl-6H-benzo[c][1]benzothiepin-11-amine
CID 3069620
2-[4-(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)-1-piperazinyl]ethyl methyl ether
CID 13353976

Frequently Asked Questions

What is the IUPAC name of 4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine?
The IUPAC name of 4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine (CID 3069616) is 4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine.
What is the SMILES notation for 4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine?
The canonical SMILES for 4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine is c1ccc(C2(N3CCOCC3)c3ccccc3CSc3ccccc32)cc1.
What is the InChIKey of 4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine?
The InChIKey is XFMLQNGZOMTBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NOS/c1-2-9-20(10-3-1)24(25-14-16-26-17-15-25)21-11-5-4-8-19(21)18-27-23-13-7-6-12-22(23)24/h1-13H,14-18H2.
What are the key properties of 4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine?
4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine has a molecular weight of 373.52 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11-phenyl-6H-benzo[c][1]benzothiepin-11-yl)morpholine is sourced from PubChem (CID 3069616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).