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CAS 1416881-53-2 2,3,5,6-tetrakis(carbazol-9-yl)-1,4-dicyanobenzene molecular structure lightbox
CAS RN: 1416881-53-2

2,3,5,6-tetrakis(carbazol-9-yl)-1,4-dicyanobenzene

Product Availability

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12 package records9 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250716 500mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250806 1g Out of stock Inquiry
Batchno.20250401 250mg Out of stock Inquiry
Batchno.20250412 500mg In stock Inquiry
Batchno.20251105 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251214 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250828 10g Out of stock Inquiry
Batchno.20251219 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250424 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251116 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20250815 5g In stock Shanghai, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251031 50mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-052258
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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 1416881-53-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1416881-53-2 / 2,3,5,6-tetra(carbazol-9-yl)benzene-1,4-dicarbonitrile

Standard CAS: 1416881-53-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1416881-53-2
Multi CAS
No
Molecular Formula
C56H32N6
Molecular Weight
788.900000
Exact Mass
788.268845
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C(=C(C(=C4N5C6=CC=CC=C6C7=CC=CC=C75)C#N)N8C9=CC=CC=C9C1=CC=CC=C18)N1C2=CC=CC=C2C2=CC=CC=C21)C#N
InChI
InChI=1S/C56H32N6/c57-33-43-53(59-45-25-9-1-17-35(45)36-18-2-10-26-46(36)59)54(60-47-27-11-3-19-37(47)38-20-4-12-28-48(38)60)44(34-58)56(62-51-31-15-7-23-41(51)42-24-8-16-32-52(42)62)55(43)61-49-29-13-5-21-39(49)40-22-6-14-30-50(40)61/h1-32H
InChIKey
OYNJAUIAADXAOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
62
Aromatic heavy atom count
58
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
253.23
TPSA
67.3

LogP / Solubility

WLOGP
13.82
MLOGP
12.23
XLogP3
13.7
Consensus LogP
13.25
Log S (ESOL)
-13.87
Class (ESOL)
Insoluble
Log S (Ali)
-16.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.74
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)
2.28

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
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

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