Basic information
- CAS
22091-92-5- Standard SMILES
CCn1c(C)c(C2(c3c(C)n(CC)c4ccccc34)OC(=O)c3ccccc32)c2ccccc21- InChIKey
CONFUNYOPVYVDC-UHFFFAOYSA-N- Molecular formula
- C30H28N2O2
- Average molar mass
- 448.6 g/mol
- Monoisotopic mass
- 448.21507814
Names & identifiers
- Preferred name
- 1(3H)-Isobenzofuranone, 3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)-
- IUPAC
- 3,3-bis(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one
- English name
- 3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide
- Molecular formula
- C30H28N2O2
- Molecular weight
- 448.56
Names & synonyms
22091-92-51(3H)-Isobenzofuranone, 3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)-EINECS 244-771-3DTXSID4066757RefChem:408829DTXCID80366053,3-bis(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one3,3-Bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide3,3-bis(1-ethyl-2-methyl-1h-indol-3-yl)-2-benzofuran-1(3h)-oneSCHEMBL51464SCHEMBL29362225NS00049797
Show more names
3,3-Bis(1-ethyl-2-methyl-1H-indole-3-yl)isobenzofuran-1(3H)-one
3,3-bis(1-ethyl-2-methylindol-3-yl)phthalide3,3-bis-(1-Ethyl-2-methyl-1H-indol-3-yl)phthalide
Database identifiers
- CAS
22091-92-5- PubChem CID
- 89595
- DTXSID
DTXSID4066757- EC Number
- 244-771-3
- Nikkaji
- J52.312G
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 36.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 727
Physicochemical properties
- Boiling point
- 656 · 656.0±55.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1(3H)-Isobenzofuranone, 3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)- (22091-92-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1(3H)-Isobenzofuranone, 3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)-: INACTIVE
Suppliers10 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
Shanghai Sunwise Chemical Co., Ltd+8615921545356 · [email protected]
Related reactions
1 records
Compound notes
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