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CAS 890148-68-2 2,4,6-tris(3-(carbazol-9-yl)phenyl)-1,3,5-triazine molecular structure lightbox
CAS RN: 890148-68-2

2,4,6-tris(3-(carbazol-9-yl)phenyl)-1,3,5-triazine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS890148-68-2
  • Purity/Analytical Methods: >99.0%
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890148-68-2 / 9-[3-[4,6-bis(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

Standard CAS: 890148-68-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
890148-68-2
Multi CAS
No
Molecular Formula
C57H36N6
Molecular Weight
804.900000
Exact Mass
804.300145
InChI
InChI=1S/C57H36N6/c1-7-28-49-43(22-1)44-23-2-8-29-50(44)61(49)40-19-13-16-37(34-40)55-58-56(38-17-14-20-41(35-38)62-51-30-9-3-24-45(51)46-25-4-10-31-52(46)62)60-57(59-55)39-18-15-21-42(36-39)63-53-32-11-5-26-47(53)48-27-6-12-33-54(48)63/h1-36H
InChIKey
KOUVXIWGXJSZHF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
63
Aromatic heavy atom count
63
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
259.15
TPSA
53.46

LogP / Solubility

WLOGP
14.16
MLOGP
12.54
XLogP3
14.2
Consensus LogP
13.63
Log S (ESOL)
-14.1
Class (ESOL)
Insoluble
Log S (Ali)
-16.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.37
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)
2.43

Drug-likeness / Medicinal Chemistry

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

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