1H-Indole-7-carboxylic acid, 3-(1-(7-((hexadecylsulfonyl)amino)-1H-indol-3-yl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-
Basic information
- CAS
37921-74-7- Standard SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)Nc1cccc2c(C3(c4c[nH]c5c(C(=O)O)cccc45)OC(=O)c4cccc5cccc3c45)c[nH]c12- InChIKey
CDSNHGGKFVLHSW-UHFFFAOYSA-N- Molecular formula
- C45H51N3O6S
- Average molar mass
- 762 g/mol
- Monoisotopic mass
- 761.34985753
Names & identifiers
- Preferred name
- 1H-Indole-7-carboxylic acid, 3-(1-(7-((hexadecylsulfonyl)amino)-1H-indol-3-yl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-
- IUPAC
- 3-[2-[7-(hexadecylsulfonylamino)-1H-indol-3-yl]-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]-1H-indole-7-carboxylic acid
- English name
- 3-[1-[7-[(hexadecylsulphonyl)amino]-1H-indol-3-yl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1H-indole-7-carboxylic acid
- Molecular formula
- C45H51N3O6S
- Molecular weight
- 761.97
Names & synonyms
EINECS 253-716-21H-Indole-7-carboxylic acid, 3-[1-[7-[(hexadecylsulfonyl)amino]-1H-indol-3-yl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-DTXSID808856951H-Indole-7-carboxylic acid, 3-(1-(7-((hexadecylsulfonyl)amino)-1H-indol-3-yl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-RefChem:438768DTXCID30102506037921-74-73-[2-[7-(Hexadecylsulfonylamino)-1H-indol-3-yl]-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]-1H-indole-7-carboxylic acid3-(1-{7-[(hexadecylsulfonyl)amino]-1h-indol-3-yl}-3-oxo-1h,3h-benzo[de]isochromen-1-yl)-1h-indole-7-carboxylic acidCDSNHGGKFVLHSW-UHFFFAOYSA-NNS000568913-(1-(7-((Hexadecylsulphonyl)amino)-1H-indol-3-yl)-3-oxo-1H,3H-naphtho(1,8-cd)pyran-1-yl)-1H-indole-7-carboxylic acid
Show more names
3-[1-[7-[(Hexadecylsulfonyl)amino]-1H-indol-3-yl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1H-indole-7-carboxylic acid3-[1-[7-[(hexadecylsulphonyl)amino]-1H-indol-3-yl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1H-indole-7-carboxylic acid
Properties
Computed structural properties
- XLogP
- 12.3
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 20
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,370
Physicochemical properties
- EPA Substance Registry System
- 1 H-Indole-7-carboxylic · 1H-Indole-7-carboxylic acid, 3-[1-[7-[(hexadecylsulfonyl)amino]-1H-indol-3-yl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]- (37921-74-7)
- 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 Information1H-Indole-7-carboxylic acid, 3-[1-[7-[(hexadecylsulfonyl)amino]-1H-indol-3-yl]-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-: INACTIVE
Related reactions
0 records
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Compound notes
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