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47758-37-2 molecular structure
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2-(4-{9-[4-(oxiran-2-ylmethoxy)phenyl]-9H-fluoren-9-yl}phenoxymethyl)oxirane

ChemBase ID: 180134
Molecular Formular: C31H26O4
Molecular Mass: 462.53574
Monoisotopic Mass: 462.18310931
SMILES and InChIs

SMILES:
C1(c2c(c3c1cccc3)cccc2)(c1ccc(OCC2OC2)cc1)c1ccc(OCC2OC2)cc1
Canonical SMILES:
c1ccc2c(c1)C(c1ccc(cc1)OCC1OC1)(c1ccc(cc1)OCC1OC1)c1c2cccc1
InChI:
InChI=1S/C31H26O4/c1-3-7-29-27(5-1)28-6-2-4-8-30(28)31(29,21-9-13-23(14-10-21)32-17-25-19-34-25)22-11-15-24(16-12-22)33-18-26-20-35-26/h1-16,25-26H,17-20H2
InChIKey:
LCSAOPVSVLGDLE-UHFFFAOYSA-N

Cite this record

CBID:180134 http://www.chembase.cn/molecule-180134.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-{9-[4-(oxiran-2-ylmethoxy)phenyl]-9H-fluoren-9-yl}phenoxymethyl)oxirane
IUPAC Traditional name
2-(4-{9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl}phenoxymethyl)oxirane
Synonyms
9,9-Bis[4-(glycidyloxy)phenyl]fluorene
CAS Number
47758-37-2
PubChem SID
164236044
PubChem CID
93249

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Chemik CHB85677 external link Add to cart
PubChem 93249 external link
Data Source Data ID Price
Chemik
CHB85677 external link Add to cart Please log in.
Data Source Data ID
PubChem 93249 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.960884  LogD (pH = 7.4) 5.960884 
Log P 5.960884  Molar Refractivity 134.5029 cm3
Polarizability 53.856594 Å3 Polar Surface Area 43.52 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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