2,9-diphenylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
Basic information
- CAS
128-65-4- Standard SMILES
O=C1c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C(=O)N1c1ccccc1)c64)C(=O)N(c1ccccc1)C5=O- InChIKey
OGEZSLXPCKHGKO-UHFFFAOYSA-N- Molecular formula
- C36H18N2O4
- Average molar mass
- 542.5 g/mol
- Monoisotopic mass
- 542.12665706
Names & identifiers
- Preferred name
- 2,9-diphenylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
- IUPAC
- 7,18-diphenyl-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
- N,N'-Di-phenyl-perylene-tetracarbonic acid, diamide
- Molecular formula
- C36H18N2O4
- Molecular weight
- 542.54
Names & synonyms
128-65-4N,N'-Diphenyl-3,4,9,10-perylenedicarboximide2,9-Diphenylanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetroneEINECS 204-902-7DTXSID601557672,9-diphenylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2h,9h)-tetroneRefChem:446547DTXCID9078258204-902-7DP-PTCDI2,9-Diphenylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraoneAnthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-diphenyl-
Show more names
S1082PTCDI-PHN,N'-Diphenyl-3,4:9,10-perylenebisdicarbimideN,N'-Diphenylperylene-3,4:9,10-bis(dicarbimide)N,N'-Diphenyl-3,4,9,10-perylenedicarboximide 98%N,N'-Di-phenyl-perylene-tetracarbonic acid, diamideN,N-Diphenyl-3,4:9,10-perylenetetracarboxylic acid diimide
7,18-diphenyl-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-tetronen,n'-diphenyl-3,4,9,10-perylene dicarboximideMFCD00151605C36H18N2O4SCHEMBL1127945SCHEMBL29726032AKOS000506018AS-39339
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- form
- solid
- semiconductor properties
- N-type (mobility=10-5cm2/V·s)
- λmax
- 527 nm · 527 nm
- InChIKey
- OGEZSLXPCKHGKO-UHFFFAOYSA-N
- SMILES
- O=C1N(c2ccccc2)C(=O)c3ccc4c5ccc6C(=O)N(c7ccccc7)C(=O)c8ccc(c9ccc1c3c49)c5c68
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesPTCDI-Ph is a conjugating polymer that forms an ultrathin film that can be used in the fabrication of organic field effect transistors (OFETs) for nitrogen dioxide sensor based applications.
General DescriptionN,N′-Diphenyl-3,4,9,10-perylenedicarboximide (PTCDI-Ph) is an asphaltene based conducting polymer that has an archipelago model. It is a perylene diimide derivative that has a high electron affinity and shows good chemical stability. It can be used as an active layer in the development of organic electronic devices.
Related reactions
0 records
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Compound notes
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