Molecule:100498: Difference between revisions
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molecule
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|moleculeKey=HPIOBCHPZVAATK-UHFFFAOYSA-N | |moleculeKey=HPIOBCHPZVAATK-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-01042421412D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
| Line 17: | Line 17: | ||
M V30 COUNTS 34 40 0 0 0 | M V30 COUNTS 34 40 0 0 0 | ||
M V30 BEGIN ATOM | M V30 BEGIN ATOM | ||
M V30 1 C 7. | M V30 1 C 7.79097 -2.77694 0.0 0 | ||
M V30 2 C 8. | M V30 2 C 8.29093 -3.64294 0.0 0 | ||
M V30 3 C 7. | M V30 3 C 7.7909 -4.50904 0.0 0 | ||
M V30 4 C 6. | M V30 4 C 6.79092 -4.50906 0.0 0 | ||
M V30 5 C 6. | M V30 5 C 6.29095 -3.64297 0.0 0 | ||
M V30 6 C 6. | M V30 6 C 6.79099 -2.77695 0.0 0 | ||
M V30 7 N 8. | M V30 7 N 8.29093 -5.37501 0.0 0 | ||
M V30 8 C 7. | M V30 8 C 7.79097 -6.24111 0.0 0 | ||
M V30 9 C 6. | M V30 9 C 6.79098 -6.24112 0.0 0 | ||
M V30 10 N 6. | M V30 10 N 6.29096 -5.37503 0.0 0 | ||
M V30 11 C 8. | M V30 11 C 8.29102 -7.10706 0.0 0 | ||
M V30 12 C 7. | M V30 12 C 7.79108 -7.97312 0.0 0 | ||
M V30 13 C 6. | M V30 13 C 6.79109 -7.97313 0.0 0 | ||
M V30 14 C 6. | M V30 14 C 6.29103 -7.10709 0.0 0 | ||
M V30 15 C 5. | M V30 15 C 5.29097 -5.37507 0.0 0 | ||
M V30 16 C 9. | M V30 16 C 9.29094 -5.37499 0.0 0 | ||
M V30 17 C 4. | M V30 17 C 4.791 -6.24111 0.0 0 | ||
M V30 18 C 3. | M V30 18 C 3.79094 -6.24113 0.0 0 | ||
M V30 19 C 3. | M V30 19 C 3.29095 -5.37512 0.0 0 | ||
M V30 20 C 3. | M V30 20 C 3.791 -4.5091 0.0 0 | ||
M V30 21 C 4. | M V30 21 C 4.79101 -4.5091 0.0 0 | ||
M V30 22 C 9. | M V30 22 C 9.79099 -4.50898 0.0 0 | ||
M V30 23 C 10. | M V30 23 C 10.791 -4.50898 0.0 0 | ||
M V30 24 C 11. | M V30 24 C 11.291 -5.37504 0.0 0 | ||
M V30 25 C 10. | M V30 25 C 10.791 -6.24106 0.0 0 | ||
M V30 26 C 9. | M V30 26 C 9.791 -6.24105 0.0 0 | ||
M V30 27 C 12.2911 -5. | M V30 27 C 12.2911 -5.37501 0.0 0 | ||
M V30 28 C 12.7911 -6. | M V30 28 C 12.7911 -6.241 0.0 0 | ||
M V30 29 C 12.2911 -7. | M V30 29 C 12.2911 -7.10705 0.0 0 | ||
M V30 30 C 11.2911 -7. | M V30 30 C 11.2911 -7.10705 0.0 0 | ||
M V30 31 C 3. | M V30 31 C 3.29101 -7.10713 0.0 0 | ||
M V30 32 C 2. | M V30 32 C 2.29105 -7.10716 0.0 0 | ||
M V30 33 C 1. | M V30 33 C 1.79103 -6.24114 0.0 0 | ||
M V30 34 C 2.29103 -5. | M V30 34 C 2.29103 -5.37513 0.0 0 | ||
M V30 END ATOM | M V30 END ATOM | ||
M V30 BEGIN BOND | M V30 BEGIN BOND | ||
| Line 96: | Line 96: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C1=CC=C2N(C3=CC=C4C=CC=CC4=C3)C3C=CC=CC=3N(C3=CC4=CC=CC=C4C=C3)C2=C1 | |smiles=C1=CC=C2N(C3=CC=C4C=CC=CC4=C3)C3C=CC=CC=3N(C3=CC4=CC=CC=C4C=C3)C2=C1 | ||
|inchi=1S/C32H22N2/c1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-22H | |inchi=1S/C32H22N2/c1-3-11-25-21-27(19-17-23(25)9-1)33-29-13-5-7-15-31(29)34(32-16-8-6-14-30(32)33)28-20-18-24-10-2-4-12-26(24)22-28/h1-22H | ||
Revision as of 21:42, 4 January 2024
| Properties | |
|---|---|
| CID | 20767396 |
| CAS | 1934269-97-2 |
| IUPAC-Name | 5,10-dinaphthalen-2-ylphenazine |
| Abbreviation | Phen1 |
| Trivialname | 510-di(2-naphthyl)-510-dihydrophenazine |
| Exact mass | 434.178298710 |
| Molecular formula | C32H22N2 |
| LogP | n/a |
| Has vendors | true |
| Molecular role | n/a |
| Synonyms | 510-di(2-naphthyl)-510-dihydrophenazine,510-dinaphthalen-2-ylphenazine,phenn_2naph,schembl13886639,at25797,cs-0105666,j3.651.778f,510-di(naphthalen-2-yl)-510-dihydrophenazine,510-di(2-naphthyl)-510-dihydrophenazine >=97% |
5,10-Di(2-naphthyl)-5,10-dihydrophenazine
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