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CAS 105389-36-4 4,4′,4”-Tris(diphenylamino)triphenylamine molecular structure lightbox
CAS RN: 105389-36-4

4,4′,4”-Tris(diphenylamino)triphenylamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 50mg / 200mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-007143
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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 105389-36-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

105389-36-4 / 1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

DTXSID30449463 | 4,4',4''-Tris(n,n-diphenylamino)triphenylamine | RefChem:284411

Standard CAS: 105389-36-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
105389-36-4
Multi CAS
No
Molecular Formula
C54H42N4
Molecular Weight
746.900000
Exact Mass
746.340947
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9
InChI
InChI=1S/C54H42N4/c1-7-19-43(20-8-1)55(44-21-9-2-10-22-44)49-31-37-52(38-32-49)58(53-39-33-50(34-40-53)56(45-23-11-3-12-24-45)46-25-13-4-14-26-46)54-41-35-51(36-42-54)57(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-42H
InChIKey
IYZMXHQDXZKNCY-UHFFFAOYSA-N
Synonyms
DTXSID30449463 4,4',4''-Tris(n,n-diphenylamino)triphenylamine RefChem:284411 DTXCID60400284 N1,N1-Bis(4-(diphenylamino)phenyl)-N4,N4-diphenylbenzene-1,4-diamine

Computed Properties

Structural Parameters

Heavy atom count
58
Aromatic heavy atom count
54
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
245.17
TPSA
12.96

LogP / Solubility

WLOGP
15.57
MLOGP
13.76
XLogP3
14.9
Consensus LogP
14.74
Log S (ESOL)
-14.17
Class (ESOL)
Insoluble
Log S (Ali)
-16.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.87
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)
3.78

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7

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