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CAS 591215-23-5 4,4′-(2′,4′,5′,6′-tetrakis(4-(pyridin-4-yl)phenyl)-[1,1′:3′,1”-terphenyl]-4,4”-diyl)dipyridine molecular structure lightbox
CAS RN: 591215-23-5

4,4′-(2′,4′,5′,6′-tetrakis(4-(pyridin-4-yl)phenyl)-[1,1′:3′,1”-terphenyl]-4,4”-diyl)dipyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS591215-23-5
  • Purity/Analytical Methods: >99.0%
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591215-23-5 / 4-[4-[2,3,4,5,6-pentakis(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine

Standard CAS: 591215-23-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
591215-23-5
Multi CAS
No
Molecular Formula
C72H48N6
Molecular Weight
997.200000
Exact Mass
996.394046
InChI
InChI=1S/C72H48N6/c1-13-61(14-2-49(1)55-25-37-73-38-26-55)67-68(62-15-3-50(4-16-62)56-27-39-74-40-28-56)70(64-19-7-52(8-20-64)58-31-43-76-44-32-58)72(66-23-11-54(12-24-66)60-35-47-78-48-36-60)71(65-21-9-53(10-22-65)59-33-45-77-46-34-59)69(67)63-17-5-51(6-18-63)57-29-41-75-42-30-57/h1-48H
InChIKey
KQMAXWHSCXCCAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
78
Aromatic heavy atom count
78
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
318.44
TPSA
77.34

LogP / Solubility

WLOGP
18.06
MLOGP
15.99
XLogP3
15
Consensus LogP
16.35
Log S (ESOL)
-17.35
Class (ESOL)
Insoluble
Log S (Ali)
-20.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.57
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
4.02

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9

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