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CAS 126717-23-5 1 3 5-TRIS(DIPHENYLAMINO)BENZENE 97 molecular structure lightbox
CAS RN: 126717-23-5

1 3 5-TRIS(DIPHENYLAMINO)BENZENE 97

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250415 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-033814
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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: 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 126717-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

126717-23-5 / 1-N,1-N,3-N,3-N,5-N,5-N-hexakis-phenylbenzene-1,3,5-triamine

Standard CAS: 126717-23-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
126717-23-5
Multi CAS
No
Molecular Formula
C42H33N3
Molecular Weight
579.700000
Exact Mass
579.267448
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC(=CC(=C3)N(C4=CC=CC=C4)C5=CC=CC=C5)N(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C42H33N3/c1-7-19-34(20-8-1)43(35-21-9-2-10-22-35)40-31-41(44(36-23-11-3-12-24-36)37-25-13-4-14-26-37)33-42(32-40)45(38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-33H
InChIKey
DPFGGYIWNDCEJM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
42
Rotatable bonds
9
H-bond acceptors
3
Molar refractivity
190.49
TPSA
9.72

LogP / Solubility

WLOGP
12.1
MLOGP
10.69
XLogP3
11.6
Consensus LogP
11.46
Log S (ESOL)
-11.15
Class (ESOL)
Insoluble
Log S (Ali)
-13.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.55
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)
2.33

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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