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CAS 220797-16-0 Poly(9,9-dioctylfluorene-co-N-(4-butylphenyl)diphenylamine) molecular structure lightbox
CAS RN: 220797-16-0

Poly(9,9-dioctylfluorene-co-N-(4-butylphenyl)diphenylamine)

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260323 100mg In stock Shanghai Inquiry
Batchno.20260317 1g Out of stock 5-7 business days Inquiry
Batchno.20250322 250mg In stock Shanghai, Hebei Inquiry
  • Product code: SSC-106222
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 220797-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

220797-16-0 / N-(4-butan-2-ylphenyl)-4-(9,9-dioctyl-7-phenylfluoren-2-yl)aniline

Standard CAS: 220797-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220797-16-0
Multi CAS
No
Molecular Formula
C51H63N
Molecular Weight
690.000000
Exact Mass
689.496051
SMILES
CCCCCCCCC1(C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C1C=C(C=C4)C5=CC=C(C=C5)NC6=CC=C(C=C6)C(C)CC)CCCCCCCC
InChI
InChI=1S/C51H63N/c1-5-8-10-12-14-19-35-51(36-20-15-13-11-9-6-2)49-37-43(41-21-17-16-18-22-41)27-33-47(49)48-34-28-44(38-50(48)51)42-25-31-46(32-26-42)52-45-29-23-40(24-30-45)39(4)7-3/h16-18,21-34,37-39,52H,5-15,19-20,35-36H2,1-4H3
InChIKey
RBFSUOVKQODUII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
30
Fraction Csp3
0.41
Rotatable bonds
20
H-bond acceptors
1
H-bond donors
1
Molar refractivity
227.95
TPSA
12.03

LogP / Solubility

WLOGP
16.05
MLOGP
14.18
XLogP3
18.5
Consensus LogP
16.24
Log S (ESOL)
-13.33
Class (ESOL)
Insoluble
Log S (Ali)
-16.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
4.46

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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