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CAS 1165-53-3 1,2,4-Triphenylbenzene molecular structure lightbox
CAS RN: 1165-53-3

1,2,4-Triphenylbenzene

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260225 1g In stock Inquiry
Batchno.20251230 250mg In stock Inquiry
  • Product code: SSC-016496
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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 1165-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

1165-53-3 / 1,2,4-triphenylbenzene

1,2,4-Triphenylbenzene | 4'-Phenyl-1,1':2',1''-terphenyl | MFCD32062934

Standard CAS: 1165-53-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1165-53-3
Multi CAS
No
Molecular Formula
C24H18
Molecular Weight
306.400000
Exact Mass
306.140851
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-17-23(20-12-6-2-7-13-20)24(18-22)21-14-8-3-9-15-21/h1-18H
InChIKey
XXCVBOQRPQKVKY-UHFFFAOYSA-N
Synonyms
1,2,4-Triphenylbenzene 4'-Phenyl-1,1':2',1''-terphenyl MFCD32062934 1,1':2',1''-Terphenyl, 4'-phenyl- m-Terphenyl, 4'-phenyl-

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
24
Rotatable bonds
3
Molar refractivity
102.75
TPSA
0.0000

LogP / Solubility

WLOGP
6.69
MLOGP
5.9
XLogP3
7.7
Consensus LogP
6.76
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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