|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
15
Total Number of Articles : 9
|
| PubChem |
122402
|
| Molecular Formula |
C31H28N2O3 |
| SMILES |
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=CC=CC=C6)C |
| InChI |
InChI=1S/C31H28N2O3/c1-4-33(5-2)22-15-16-25-29(18-22)35-28-17-20(3)27(32-21-11-7-6-8-12-21)19-26(28)31(25)24-14-10-9-13-23(24)30(34)36-31/h6-19,32H,4-5H2,1-3H3 |
| synonyms |
- 29512-49-0
- 7-Anilino-3-diethylamino-6-methyl fluoran
- One Dye Black 1
- 6'-(Diethylamino)-3'-methyl-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
- Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)-
- 2-Anilino-3-methyl-6-diethylaminofluoran
- 7-Anilino-3-diethylamino-6-methylfluoran
- 2'-anilino-6'-(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
- 8C4BY0JL9A
- 2'-anilino-6'-(diethylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
- Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(diethylamino)-3'-methyl-2'-(phenylamino)-
- C31H28N2O3
- UNII-8C4BY0JL9A
- tricetylamine
- 6'-Diethylamino-3'-methyl-2'-phenylaminofluoran
- EINECS 249-676-0
- THDA
- N-102
- 2'-Anilino-6'-(diethylamino)-3'-methylfluoran
- ARMEEN-316
- SCHEMBL2764830
- DTXSID0029347
- AMY21792
- MFCD00603523
- STL431808
- AKOS000447886
- AKOS024373831
- AS-14011
- CS-0139843
- D5974
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|
| Properties |
| Property |
Value |
| MW |
476.6 g/mol |
| HBD |
1 |
| HBA |
5 |
| Rotatable Bond Count |
5 |
| Exact Mass |
476.20999276 g/mol |
| Monoisotopic Mass |
476.20999276 g/mol |
| Heavy Atom Count |
36 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
780 |
| xlogp |
6.9 |
| Topological Polar Surface Area |
50.8 |
|