1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-[2,3,3,3-tetrahydro-3-(4-morpholinyl)-3-[(2-nitrophenyl)imino]-2-phenyl-4H-1,2,3-diazaphosphol-4-ylidene]-
Basic information
- CAS
326023-09-0- Standard SMILES
CN1C(=C2C=NN(c3ccccc3)P2(=Nc2ccccc2[N+](=O)[O-])N2CCOCC2)C(C)(C)c2ccccc21- InChIKey
GZUHOVYJXSMIMA-UHFFFAOYSA-N- Molecular formula
- C29H31N6O3P
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.21952587
Names & identifiers
- Preferred name
- 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-[2,3,3,3-tetrahydro-3-(4-morpholinyl)-3-[(2-nitrophenyl)imino]-2-phenyl-4H-1,2,3-diazaphosphol-4-ylidene]-
- IUPAC
- 4-[3-(2-nitrophenyl)imino-2-phenyl-4-(1,3,3-trimethylindol-2-ylidene)-1,2,3λ5-diazaphosphol-3-yl]morpholine
Names & synonyms
DTXSID201100502AKOS0306595991H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-[2,3,3,3-tetrahydro-3-(4-morpholinyl)-3-[(2-nitrophenyl)imino]-2-phenyl-4H-1,2,3-diazaphosphol-4-ylidene]-326023-09-0
Database identifiers
- CAS
326023-09-0- PubChem CID
- 4608352
- DTXSID
DTXSID201100502
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,040
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Compound notes
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