2,3,3-Trimethyl-5-phenyl-3H-indole - CAS 294655-87-1
Catalog: |
BB020210 |
Product Name: |
2,3,3-Trimethyl-5-phenyl-3H-indole |
CAS: |
294655-87-1 |
Synonyms: |
2,3,3-trimethyl-5-phenylindole; 2,3,3-trimethyl-5-phenylindole |
IUPAC Name: | 2,3,3-trimethyl-5-phenylindole |
Description: | 2,3,3-Trimethyl-5-phenyl-3H-indole (CAS# 294655-87-1 ) is a useful research chemical. |
Molecular Weight: | 235.32 |
Molecular Formula: | C17H17N |
Canonical SMILES: | CC1=NC2=C(C1(C)C)C=C(C=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C17H17N/c1-12-17(2,3)15-11-14(9-10-16(15)18-12)13-7-5-4-6-8-13/h4-11H,1-3H3 |
InChI Key: | RUEVOVIBTGMVJR-UHFFFAOYSA-N |
Boiling Point: | 367.4 °C at 760 mmHg |
Density: | 1.03 g/cm3 |
LogP: | 4.17280 |
Publication Number | Title | Priority Date |
EP-1480683-A2 | Near infrared fluorescent contrast agent and method for fluorescence imaging | 20020307 |
EP-1480683-B1 | Near infrared fluorescent contrast agent and method for fluorescence imaging | 20020307 |
US-2005226815-A1 | Near infrared fluorescent contrast agent and method for fluorescence imaging | 20020307 |
US-2009041670-A1 | Near Infrared Fluorescent Contrast Agent And Method For Fluorescence Imaging | 20020307 |
US-7473415-B2 | Near infrared fluorescent contrast agent and method for fluorescence imaging | 20020307 |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.136099547 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.136099547 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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