Basic information
- CAS
67697-75-0- Standard SMILES
CCCCCCCCc1ccc(N(c2ccc(CCCCCCCC)cc2)C2(c3ccc(N(C)C)cc3)OC(=O)c3ccccc32)cc1- InChIKey
VHAKYQXQOXNMCV-UHFFFAOYSA-N- Molecular formula
- C44H56N2O2
- Average molar mass
- 644.9 g/mol
- Monoisotopic mass
- 644.43417903
Names & identifiers
- Preferred name
- 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]-
- IUPAC
- 3-[4-(dimethylamino)phenyl]-3-(4-octyl-N-(4-octylphenyl)anilino)-2-benzofuran-1-one
- English name
- 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]phthalide
- Molecular formula
- C44H56N2O2
- Molecular weight
- 644.93
Names & synonyms
EINECS 266-914-91(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]-DTXSID508673071(3H)-Isobenzofuranone, 3-(bis(4-octylphenyl)amino)-3-(4-(dimethylamino)phenyl)-RefChem:408844DTXCID5081550067697-75-03-(Bis(4-octylphenyl)amino)-3-(4-(dimethylamino)phenyl)phthalideSCHEMBL1882657NS000559423-[4-(dimethylamino)phenyl]-3-[bis(4-octylphenyl)-amino]phthalide3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]-2-benzofuran-1(3H)-one
Show more names
3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]phthalide3-[Bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]isobenzofuran-1(3H)-one1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino] -3-[4-(dimethylamino)phenyl]-3-[4-(dimethylamino)phenyl]-3-(4-octyl-N-(4-octylphenyl)anilino)-2-benzofuran-1-one
Properties
Computed structural properties
- XLogP
- 14.6
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 862
Physicochemical properties
- EPA Substance Registry System
- 1 · 1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]- (67697-75-0)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1(3H)-Isobenzofuranone, 3-[bis(4-octylphenyl)amino]-3-[4-(dimethylamino)phenyl]-: ACTIVE
Suppliers1 total
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
1 records
Compound notes
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