Home > Compound List > Compound details
162214408 molecular structure
click picture or here to close

5H,6H,11H-benzo[a]carbazole

ChemBase ID: 120055
Molecular Formular: C16H13N
Molecular Mass: 219.28112
Monoisotopic Mass: 219.10479942
SMILES and InChIs

SMILES:
c12c(c3c([nH]1)cccc3)CCc1c2cccc1
Canonical SMILES:
c1ccc2c(c1)CCc1c2[nH]c2c1cccc2
InChI:
InChI=1S/C16H13N/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-8,17H,9-10H2
InChIKey:
UPUQYBJFFYMNQK-UHFFFAOYSA-N

Cite this record

CBID:120055 http://www.chembase.cn/molecule-120055.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5H,6H,11H-benzo[a]carbazole
IUPAC Traditional name
5H,6H,11H-benzo[a]carbazole
Synonyms
6,11-dihydro-5H-benzo[a]carbazole
PubChem SID
162214408
PubChem CID
297591

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
InterBioScreen
BB_NC-2520 external link Add to cart Please log in.
Data Source Data ID
PubChem 297591 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.9474745  H Acceptors
H Donor LogD (pH = 5.5) 4.202351 
LogD (pH = 7.4) 4.202351  Log P 4.202351 
Molar Refractivity 70.4384 cm3 Polarizability 29.547 Å3
Polar Surface Area 15.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle