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162214410 molecular structure
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3-phenyl-2,3,4,9-tetrahydro-1H-carbazole

ChemBase ID: 120057
Molecular Formular: C18H17N
Molecular Mass: 247.33428
Monoisotopic Mass: 247.13609955
SMILES and InChIs

SMILES:
c12c([nH]c3c1cccc3)CCC(C2)c1ccccc1
Canonical SMILES:
c1ccc(cc1)C1CCc2c(C1)c1ccccc1[nH]2
InChI:
InChI=1S/C18H17N/c1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18/h1-9,14,19H,10-12H2
InChIKey:
VUSVQQBDPWCLNQ-UHFFFAOYSA-N

Cite this record

CBID:120057 http://www.chembase.cn/molecule-120057.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-phenyl-2,3,4,9-tetrahydro-1H-carbazole
IUPAC Traditional name
3-phenyl-2,3,4,9-tetrahydro-1H-carbazole
Synonyms
3-phenyl-2,3,4,9-tetrahydro-1H-carbazole
PubChem SID
162214410
PubChem CID
11586841

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11586841 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.186815  H Acceptors
H Donor LogD (pH = 5.5) 4.709179 
LogD (pH = 7.4) 4.709179  Log P 4.709179 
Molar Refractivity 79.3018 cm3 Polarizability 31.686562 Å3
Polar Surface Area 15.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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