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111296-90-3 molecular structure
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5H,7H-indolo[2,3-b]carbazole

ChemBase ID: 286818
Molecular Formular: C18H12N2
Molecular Mass: 256.30128
Monoisotopic Mass: 256.10004839
SMILES and InChIs

SMILES:
c12[nH]c3c(cccc3)c1cc1c([nH]c3c1cccc3)c2
Canonical SMILES:
c1ccc2c(c1)[nH]c1c2cc2c(c1)[nH]c1c2cccc1
InChI:
InChI=1S/C18H12N2/c1-3-7-15-11(5-1)13-9-14-12-6-2-4-8-16(12)20-18(14)10-17(13)19-15/h1-10,19-20H
InChIKey:
UVHIWKCVGUMHNB-UHFFFAOYSA-N

Cite this record

CBID:286818 http://www.chembase.cn/molecule-286818.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5H,7H-indolo[2,3-b]carbazole
IUPAC Traditional name
5H,7H-indolo[2,3-b]carbazole
Synonyms
5,7-Dihydroindolo[2,3-b]carbazole
CAS Number
111296-90-3
PubChem SID
180672349
PubChem CID
10332633

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD101825 Please log in.
Data Source Data ID
PubChem 10332633 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.305104  H Acceptors
H Donor LogD (pH = 5.5) 4.2085257 
LogD (pH = 7.4) 4.2085257  Log P 4.2085257 
Molar Refractivity 80.8864 cm3 Polarizability 36.30177 Å3
Polar Surface Area 31.58 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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