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2,7-di(2,5,8,11-tetraoxatridecan-13-yl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone | SBID = 1888 | Compound |
Custom Molecule
Structure
Molecular Properties
Interactions: |
1
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PubChem TPSA/Å2: |
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Ertl TPSA/Å2: |
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Hydrophilicity (PubChem XLogP): |
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Hydrophilicity (Cheng XLogP3): |
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Charge: |
0.0 |
Number of H-Bond Donors: |
0.0 |
Number of H-Bond Acceptors: |
12.0 |
Number of Stereogenic Bonds (E/Z): |
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Number of Stereogenic Atoms (R/S): |
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3D Volume/Å3: |
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Sum Formula: |
C32H42N2O12 |
M / g/mol: |
646.68208 |
Complexity: |
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Number of Conformers: |
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Identifiers
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Tags:
typical guest
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Name:
2,7-di(2,5,8,11-tetraoxatridecan-13-yl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
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Preferred Abbreviation:
2,7-di(2,5,8,11-tetraoxatridecan-13-yl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
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IUPAC Name:
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CAS:
1373115-10-6
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CID:
-800
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InChiKey:
RHFPJTCDVVJBMI-UHFFFAOYSA-N
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InChi:
InChI=1S/C32H42N2O12/c1-39-11-13-43-19-21-45-17-15-41-9-7-33-29(35)23-3-5-25-28-26(6-4-24(27(23)28)30(33)36)32(38)34(31(25)37)8-10-42-16-18-46-22-20-44-14-12-40-2/h3-6H,7-22H2,1-2H3
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CanoSmiles:
COCCOCCOCCOCCN1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)CCOCCOCCOCCOC
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IsoSmiles:
O=C(N(CCOCCOCCOCCOC)C1=O)C2=C(C1=CC=C3C(N(CCOCCOCCOCCOC)C4=O)=O)C3=C4C=C2