2,7-bis(2-(trimethyl-azaneyl)ethyl)pyrene-1,3,6,8(2H,7H)-tetraone | SBID = 442 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C26H32N2O4 2+
M / g/mol: 436.55
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged, cation, aromatic
  • Name: 2,7-bis(2-(trimethyl-azaneyl)ethyl)pyrene-1,3,6,8(2H,7H)-tetraone
  • Preferred Abbreviation: 2,7-bis(2-(trimethyl-azaneyl)ethyl)pyrene-1,3,6,8(2H,7H)-tetraone
  • IUPAC Name: 2,2'-(1,3,6,8-tetraoxo-1,2,3,6,7,8-hexahydropyrene-2,7-diyl)bis(N,N,N-trimethylethan-1-aminium)
  • CAS:
  • CID: -87
  • InChiKey: DRCFEUMOZPSXRM-UHFFFAOYSA-N
  • InChi: InChI=1S/C26H32N2O4/c1-27(2,3)13-11-19-23(29)15-7-9-17-22-18(10-8-16(21(15)22)24(19)30)26(32)20(25(17)31)12-14-28(4,5)6/h7-10,19-20H,11-14H2,1-6H3/q+2
  • CanoSmiles: O=C(C(CC[N+](C)(C)C)C1=O)C2=CC=C3C4=C2C1=CC=C4C(C(CC[N+](C)(C)C)C3=O)=O
  • IsoSmiles: O=C(C1=CC=C2C3=C1C4=CC=C3C(C(C2=O)CC[N+](C)(C)C)=O)C(C4=O)CC[N+](C)(C)C