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CAS 1141757-83-6 3,3′:6′,3”-Ter-9H-carbazole, 9,9′,9”-triphenyl- molecular structure lightbox
CAS RN: 1141757-83-6

3,3′:6′,3”-Ter-9H-carbazole, 9,9′,9”-triphenyl-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260210 25mg / 100mg / 500mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-014048
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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: ≥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 1141757-83-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1141757-83-6 / 9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole

9,9',9''-Triphenyl-9H,9'H,9''H-3,3':6',3''-tercarbazole | RefChem:548960 | 891-428-4

Standard CAS: 1141757-83-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1141757-83-6
Multi CAS
No
Molecular Formula
C54H35N3
Molecular Weight
725.900000
Exact Mass
725.283098
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7)C8=C2C=CC(=C8)C9=CC1=C(C=C9)N(C2=CC=CC=C21)C1=CC=CC=C1
InChI
InChI=1S/C54H35N3/c1-4-14-40(15-5-1)55-49-22-12-10-20-43(49)45-32-36(24-28-51(45)55)38-26-30-53-47(34-38)48-35-39(27-31-54(48)57(53)42-18-8-3-9-19-42)37-25-29-52-46(33-37)44-21-11-13-23-50(44)56(52)41-16-6-2-7-17-41/h1-35H
InChIKey
FXKMXDQBHDTQII-UHFFFAOYSA-N
Synonyms
9,9',9''-Triphenyl-9H,9'H,9''H-3,3':6',3''-tercarbazole RefChem:548960 891-428-4 Tris-PCz 3,6-Bis(9-phenyl-9H-carbazol-3-yl)-9-phenyl-9H-carbazole

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
57
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
240.33
TPSA
14.79

LogP / Solubility

WLOGP
14.31
MLOGP
12.66
XLogP3
14.4
Consensus LogP
13.79
Log S (ESOL)
-13.77
Class (ESOL)
Insoluble
Log S (Ali)
-15.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.86
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)
3.01

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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