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CAS 185690-39-5 4,4′,4”-TRIS(N-(1-NAPHTHYL)-N-PHENYL-AMINO)-TRIPHENYLAMINE molecular structure lightbox
CAS RN: 185690-39-5

4,4′,4”-TRIS(N-(1-NAPHTHYL)-N-PHENYL-AMINO)-TRIPHENYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250120 1g Out of stock Inquiry
  • Product code: SSC-085966
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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: 0.25g
  • 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 185690-39-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

185690-39-5 / 4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine

Standard CAS: 185690-39-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
185690-39-5
Multi CAS
No
Molecular Formula
C66H48N4
Molecular Weight
897.100000
Exact Mass
896.387898
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)N(C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC1=CC=CC=C19)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C66H48N4/c1-4-25-52(26-5-1)68(64-34-16-22-49-19-10-13-31-61(49)64)58-43-37-55(38-44-58)67(56-39-45-59(46-40-56)69(53-27-6-2-7-28-53)65-35-17-23-50-20-11-14-32-62(50)65)57-41-47-60(48-42-57)70(54-29-8-3-9-30-54)66-36-18-24-51-21-12-15-33-63(51)66/h1-48H
InChIKey
CRHRWHRNQKPUPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
70
Aromatic heavy atom count
66
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
297.69
TPSA
12.96

LogP / Solubility

WLOGP
19.03
MLOGP
16.83
XLogP3
18.6
Consensus LogP
18.15
Log S (ESOL)
-17.29
Class (ESOL)
Insoluble
Log S (Ali)
-20.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.72
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)
5.32

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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