Home > Compound List > Compound details
13637-37-1 molecular structure
click picture or here to close

3-(1H-indol-3-yl)-1H-indole

ChemBase ID: 58440
Molecular Formular: C16H12N2
Molecular Mass: 232.27988
Monoisotopic Mass: 232.10004839
SMILES and InChIs

SMILES:
c1ccc2c(c1)c(c[nH]2)c1c[nH]c2ccccc12
Canonical SMILES:
c1ccc2c(c1)c(c[nH]2)c1c[nH]c2c1cccc2
InChI:
InChI=1S/C16H12N2/c1-3-7-15-11(5-1)13(9-17-15)14-10-18-16-8-4-2-6-12(14)16/h1-10,17-18H
InChIKey:
WHJMXLYLQPXPSY-UHFFFAOYSA-N

Cite this record

CBID:58440 http://www.chembase.cn/molecule-58440.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(1H-indol-3-yl)-1H-indole
IUPAC Traditional name
3-(1H-indol-3-yl)-1H-indole
Synonyms
1H,1'H-3,3'-Biindole
CAS Number
13637-37-1
MDL Number
MFCD01321109
PubChem SID
162063203
PubChem CID
283351

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
063621 external link Add to cart Please log in.
Data Source Data ID
PubChem 283351 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.360207  H Acceptors
H Donor LogD (pH = 5.5) 3.817995 
LogD (pH = 7.4) 3.817995  Log P 3.817995 
Molar Refractivity 73.3672 cm3 Polarizability 32.087616 Å3
Polar Surface Area 31.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

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