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CAS 172285-72-2 9,9′,10,10′-Tetraphenyl-2,2′-bianthracene molecular structure lightbox
CAS RN: 172285-72-2

9,9′,10,10′-Tetraphenyl-2,2′-bianthracene

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251202 1g Out of stock 8-10 business days Inquiry
Batchno.20250601 200mg In stock Shanghai Inquiry
  • Product code: SSC-075755
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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: ≥97%
  • 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 172285-72-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

172285-72-2 / 2-(9,10-diphenylanthracen-2-yl)-9,10-diphenylanthracene

Standard CAS: 172285-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
172285-72-2
Multi CAS
No
Molecular Formula
C52H34
Molecular Weight
658.800000
Exact Mass
658.266051
SMILES
C1=CC=C(C=C1)C2=C3C=CC(=CC3=C(C4=CC=CC=C42)C5=CC=CC=C5)C6=CC7=C(C8=CC=CC=C8C(=C7C=C6)C9=CC=CC=C9)C1=CC=CC=C1
InChI
InChI=1S/C52H34/c1-5-17-35(18-6-1)49-41-25-13-15-27-43(41)51(37-21-9-3-10-22-37)47-33-39(29-31-45(47)49)40-30-32-46-48(34-40)52(38-23-11-4-12-24-38)44-28-16-14-26-42(44)50(46)36-19-7-2-8-20-36/h1-34H
InChIKey
BHPFDLWDNJSMOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
52
Rotatable bonds
5
Molar refractivity
223.65
TPSA
0.0000

LogP / Solubility

WLOGP
14.63
MLOGP
12.93
XLogP3
15.1
Consensus LogP
14.22
Log S (ESOL)
-13.55
Class (ESOL)
Insoluble
Log S (Ali)
-15.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.69
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.65

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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