[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium | SBID = 575 | Compound |
Structure
Molecular Properties
| Interactions: | 22 | ||
| PubChem TPSA/Å2: | 119.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.6 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 2.0 | ||
| Number of H-Bond Donors: | 5.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 217.4 | ||
| Sum Formula: | C16H17N5+2 | ||
| M / g/mol: | 279.34 | ||
| Complexity: | 402.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: [Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium
- Preferred Abbreviation: DAPI 2H+
- IUPAC Name: [amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium
- CAS:
- CID: 6338807
- InChiKey: FWBHETKCLVMNFS-UHFFFAOYSA-P
- InChi: InChI=1S/C16H15N5/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8,21H,(H3,17,18)(H3,19,20)/p+2
- CanoSmiles: C1=CC(=CC=C1C2=CC3=C(N2)C=C(C=C3)C(=[NH2+])N)C(=[NH2+])N
- IsoSmiles: C1=CC(=CC=C1C2=CC3=C(N2)C=C(C=C3)C(=[NH2+])N)C(=[NH2+])N
