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40899-99-8 molecular structure
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2-(1H-indol-2-yl)-1H-indole

ChemBase ID: 22391
Molecular Formular: C16H12N2
Molecular Mass: 232.27988
Monoisotopic Mass: 232.10004839
SMILES and InChIs

SMILES:
c1ccc2c(c1)cc([nH]2)c1[nH]c2c(c1)cccc2
Canonical SMILES:
c1ccc2c(c1)[nH]c(c2)c1cc2c([nH]1)cccc2
InChI:
InChI=1S/C16H12N2/c1-3-7-13-11(5-1)9-15(17-13)16-10-12-6-2-4-8-14(12)18-16/h1-10,17-18H
InChIKey:
FFBLFXFOMFDJLS-UHFFFAOYSA-N

Cite this record

CBID:22391 http://www.chembase.cn/molecule-22391.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1H-indol-2-yl)-1H-indole
IUPAC Traditional name
2-(1H-indol-2-yl)-1H-indole
Synonyms
2,2'-Biindolyl
CAS Number
40899-99-8
MDL Number
MFCD09839789
PubChem SID
160985698
PubChem CID
11020756

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
024780 external link Add to cart Please log in.
Data Source Data ID
PubChem 11020756 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.53726  H Acceptors
H Donor LogD (pH = 5.5) 3.6579974 
LogD (pH = 7.4) 3.6579974  Log P 3.6579974 
Molar Refractivity 73.1222 cm3 Polarizability 32.06673 Å3
Polar Surface Area 31.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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