BODIPY + | SBID = 2571 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 11.82 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 4.93 | ||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C25H25BF2N3+ | ||
| M / g/mol: | 416.2939064 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: dye
- Name: BODIPY +
- Preferred Abbreviation:
- IUPAC Name:
- CAS:
- CID: -1128
- InChiKey: CBRJAHJYBVBYJV-UHFFFAOYSA-N
- InChi: InChI=1S/C25H25BF2N3/c1-16-14-18(3)30-24(16)23(25-17(2)15-19(4)31(25)26(30,27)28)22-8-6-20(7-9-22)21-10-12-29(5)13-11-21/h6-15H,1-5H3/q+1
- CanoSmiles: C[n+]1ccc(cc1)c1ccc(cc1)C1=C2C(=CC(=[N+]2[B-](n2c1c(C)cc2C)(F)F)C)C
- IsoSmiles: CC1=CC(C)=C2N1[B-](F)(F)[N+]1=C(C)C=C(C)C1=C2C1=CC=C(C=C1)C1=CC=[N+](C)C=C1
