![CAS 1613074-59-1 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yll)phenyl]-N3,N3,N3,N3-tetraphenyl-9H-carbazole-3,6-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1613074-59-1.gif)
CAS RN: 1613074-59-1
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yll)phenyl]-N3,N3,N3,N3-tetraphenyl-9H-carbazole-3,6-diamine
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250806 | 25mg / 100mg / 500mg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS1613074-59-1
- Purity/Analytical Methods: >99.0%
1613074-59-1 / 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
Basic Information
CAS
1613074-59-1
Multi CAS
No
Molecular Formula
C57H40N6
Molecular Weight
809.000000
Exact Mass
808.331445
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)N4C5=C(C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=C4C=CC(=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1
InChI
InChI=1S/C57H40N6/c1-7-19-41(20-8-1)55-58-56(42-21-9-2-10-22-42)60-57(59-55)43-31-33-48(34-32-43)63-53-37-35-49(61(44-23-11-3-12-24-44)45-25-13-4-14-26-45)39-51(53)52-40-50(36-38-54(52)63)62(46-27-15-5-16-28-46)47-29-17-6-18-30-47/h1-40H
InChIKey
FGOWOFSHJNQXGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
63
Aromatic heavy atom count
61
Rotatable bonds
10
H-bond acceptors
6
Molar refractivity
259.84
TPSA
50.08
LogP / Solubility
WLOGP
14.91
MLOGP
13.19
XLogP3
14.5
Consensus LogP
14.2
Log S (ESOL)
-14.31
Class (ESOL)
Insoluble
Log S (Ali)
-16.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.49
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)
2.93
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8
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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