N,N'-Dioctadecyl-3,4,9,10-perylenedicarboximide
Grundinformationen
- CAS
25834-02-0- Standard-SMILES
CCCCCCCCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CCCCCCCCCCCCCCCCCC)C5=O- InChIKey
SPPVDEHBIATCNG-UHFFFAOYSA-N- Summenformel
- C60H82N2O4
- Durchschnittliche Molmasse
- 895,3 g/mol
- Monoisotopische Masse
- 894,6274591
Namen und Bezeichner
- Bevorzugter Name
- N,N'-Dioctadecyl-3,4,9,10-perylenedicarboximide
- IUPAC
- 7,18-dioctadecyl-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
- Englischer Name
- N,N'-dioctadecyl-3,4,9,10-perylenedicarboxiMide
- Summenformel
- C60H82N2O4
- Molmasse
- 895.3
Namen und Synonyme
25834-02-0N,N'-Dioctadecyl-3,4,9,10-perylenedicarboximide7,18-Dioctadecyl-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-tetronePTCDI-C18SCHEMBL6263953DTXSID301129430N,N'-Dioctadecyl-3,4,9,10-perylenebiscarboximideN,N'-Dioctadecyl-3,4,9,10-perylenedicarboximide; PTCDI-C18N,N inverted exclamation mark -Dioctadecyl-3,4,9,10-perylenedicarboximide2,9-Dioctadecylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone2,9-Dioctadecylanthra[2,1,9-def:6,5,10-d'e'f inverted exclamation marka]diisoquinoline-1,3,8,10(2H,9H)-tetrone2,9-Dioctadecylanthra[2,1,9-def:6,5,10-d'e'fa(2)]diisoquinoline-1,3,8,10(2H,9H)-tetrone
Weitere Namen anzeigen
PTCDI-C18H37N,N’-bis(octadecyl)-3,4:9,10-perylenebis(dicarboximide)Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dioctadecyl-
2,9-Dioctadecylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 21,4
- Polarare Oberfläche (TPSA)
- 74,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 34
- Schwere Atome
- 66
- Formalladung
- 0
- Komplexität
- 1.300
Physikochemische Eigenschaften
- Schmelzpunkt
- 360 °C · >360 °C
- Siedepunkt
- 923 · 923.0±38.0 °C(Predicted)
- Dichte
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- pka
- -2.26 · -2.26±0.20(Predicted)
Zugehörige Reaktionen
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