2,9-bis(3-aminophenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
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Basic information
- CAS
32283-92-4- Standard SMILES
Nc1cccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2cccc(N)c2)C6=O)c1- InChIKey
LBQIBUZDDHLNLQ-UHFFFAOYSA-N- Molecular formula
- C36H20N4O4
- Average molar mass
- 572.6 g/mol
- Monoisotopic mass
- 572.14845513
Names & identifiers
- Preferred name
- 2,9-bis(3-aminophenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
- IUPAC
- 7,18-bis(3-aminophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
- English name
- 2,9-bis(3-aminophenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
- Molecular formula
- C36H20N4O4
- Molecular weight
- 572.57
Names & synonyms
32283-92-42,9-Bis(3-aminophenyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetroneEINECS 250-979-52,9-bis(3-aminophenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetroneRefChem:83593250-979-52,9-bis(3-aminophenyl)anthra[2,1,9-def2,9-bis(3-aminophenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone7,18-bis(3-aminophenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetroneSCHEMBL3628513DTXSID70954081NS00058759
Show more names
N,N'-bis(3-aminophenyl)perylenetetracarboxylic diimideN,N'-Bis(3-aminophenyl)-3,4:9,10-perylenebis(dicarbimide)N,N''-BIS(3-AMINOPHENYL)-3,4,9,10-PERYLENETETRACARBOXYLIC DIIMIDE)
N,N'-Bis(3-aminophenyl)-3,4,9,10-perylenetetracarboxylic diimide2,9-Bis(3-aminophenyl)isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetroneAnthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3-aminophenyl)-
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,090
Physicochemical properties
- Density
- 1.611 · 1.611±0.06 g/cm3(Predicted)
- pka
- 4.33 · 4.33±0.10(Predicted)
Related reactions
0 records
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Compound notes
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