Basic information
- CAS
129473-78-5- Standard SMILES
CCCCCN(CCCCC)c1ccc2c(c1)Oc1cc(C)c(Nc3ccccc3)cc1C21OC(=O)c2ccccc21- InChIKey
SHHQYIMTQGDRHS-UHFFFAOYSA-N- Molecular formula
- C37H40N2O3
- Average molar mass
- 560.7 g/mol
- Monoisotopic mass
- 560.30389314
Overview
See other relationships...
Names & identifiers
- Preferred name
- Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(dipentylamino)-3'-methyl-2'-(phenylamino)-
- IUPAC
- 2'-anilino-6'-(dipentylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
- English name
- BLACK 305
- Molecular formula
- C37H40N2O3
- Molecular weight
- 560.73
Names & synonyms
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(dipentylamino)-3'-methyl-2'-(phenylamino)-DTXSID308886316'-(Dipentylamino)-3'-methyl-2'-(phenylamino)spiro(isobenzofuran-1(3H)-9'-(9H)xanthen)-3-oneSpiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(dipentylamino)-3'-methyl-2'-(phenylamino)-RefChem:888829DTXCID901027907129473-78-5Black 3052'-anilino-6'-(dipentylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one2'-Anilino-6'-(dipentylamino)-3'-methyl-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-oneSCHEMBL1045066SCHEMBL30009472
Show more names
2-(Phenylamino)-6-(dipentylamino)-3-methylspiro[9H-xanthene-9,3'-phthalide]2'-Anilino-3'-methyl-6'-(dipentylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one6'-(Dipentylamino)-3'-methyl-2'-anilinospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
SCHEMBL30216197SCHEMBL31549308SHHQYIMTQGDRHS-UHFFFAOYSA-NSTK568031AKOS001588369AKOS0219834536'-(dipentylamino)-3'-methyl-2'-(phenylamino)-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one6'-(dipentylamino)-3'-methyl-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 865
Physicochemical properties
- Boiling point
- 720.3 · 720.3±60.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 4.54 · 4.54±0.20(Predicted)
- EPA Substance Registry System
- -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(dipentylamino)-3'-methyl-2'-(phenylamino)- (129473-78-5)
- TSCA
- TSCA listed
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Inactive
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(dipentylamino)-3'-methyl-2'-(phenylamino)-: ACTIVE
Suppliers3 total
Yamada Chemical Co., Ltd.[email protected]
PHARMEKS Ltd.[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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