2,5,10-Tributylhexahydro-1h,3ch-3b,8-ethenodipyrrolo[3,4-b:3',4'-e]pyrrolo[3',4':3,4]pyrrolo[2,1-i]indole-1,3,4,6,9,11(2h,5h,6ah,8h,10h)-hexone
Basic information
- CAS
40323-42-0- Standard SMILES
CCCCN1C(=O)C2CCC34C5C(=O)N(CCCC)C(=O)C5C5C=CC3(C2C1=O)C1C(=O)N(CCCC)C(=O)C1N54- InChIKey
VNCFCCZQPWMZKA-UHFFFAOYSA-N- Molecular formula
- C31H40N4O6
- Average molar mass
- 564.7 g/mol
- Monoisotopic mass
- 564.29478501
Names & identifiers
- Preferred name
- 2,5,10-Tributylhexahydro-1h,3ch-3b,8-ethenodipyrrolo[3,4-b:3',4'-e]pyrrolo[3',4':3,4]pyrrolo[2,1-i]indole-1,3,4,6,9,11(2h,5h,6ah,8h,10h)-hexone
- IUPAC
- 4,12,19-tributyl-4,12,16,19-tetrazaheptacyclo[13.6.2.01,9.02,6.09,16.010,14.017,21]tricos-22-ene-3,5,11,13,18,20-hexone
Names & synonyms
40323-42-0NSC1599332,5,10-tributylhexahydro-1h,3ch-3b,8-ethenodipyrrolo[3,4-b:3',4'-e]pyrrolo[3',4':3,4]pyrrolo[2,1-i]indole-1,3,4,6,9,11(2h,5h,6ah,8h,10h)-hexoneSCHEMBL6421190DTXSID80960759NSC-159933
Database identifiers
- CAS
40323-42-0- PubChem CID
- 293377
- DTXSID
DTXSID80960759
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,290
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