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CAS 139092-78-7 4,4′,4”-Tri-9-carbazolyltriphenylamine molecular structure lightbox
CAS RN: 139092-78-7

4,4′,4”-Tri-9-carbazolyltriphenylamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250114 250mg / 1g / 5g Confirm by inquiry Shanghai, Guangdong, Shandong, Hebei Inquiry
  • Product code: SSC-049214
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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: 5g
  • 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 139092-78-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

139092-78-7 / 4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline

Standard CAS: 139092-78-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
139092-78-7
Multi CAS
No
Molecular Formula
C54H36N4
Molecular Weight
740.900000
Exact Mass
740.293997
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC=C(C=C4)N(C5=CC=C(C=C5)N6C7=CC=CC=C7C8=CC=CC=C86)C9=CC=C(C=C9)N1C2=CC=CC=C2C2=CC=CC=C21
InChI
InChI=1S/C54H36N4/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58/h1-36H
InChIKey
AWXGSYPUMWKTBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
57
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
244.14
TPSA
18.03

LogP / Solubility

WLOGP
14.45
MLOGP
12.78
XLogP3
14.4
Consensus LogP
13.88
Log S (ESOL)
-13.87
Class (ESOL)
Insoluble
Log S (Ali)
-16.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.19
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)
3.02

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

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 (97.6%): 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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