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CAS 1803287-94-6 7,10-Bis(4-(diphenylamino)phenyl)-2,3 -dicyanopyrazino phenanthrene molecular structure lightbox
CAS RN: 1803287-94-6

7,10-Bis(4-(diphenylamino)phenyl)-2,3 -dicyanopyrazino phenanthrene

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260303 100mg In stock Shanghai Inquiry
Batchno.20250714 10mg In stock Shanghai Inquiry
Batchno.20260109 250mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS1803287-94-6
  • Purity/Analytical Methods: >99.0%
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1803287-94-6 / 7,10-bis[4-(N-phenylanilino)phenyl]phenanthro[9,10-b]pyrazine-2,3-dicarbonitrile

Standard CAS: 1803287-94-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1803287-94-6
Multi CAS
No
Molecular Formula
C54H34N6
Molecular Weight
766.900000
Exact Mass
766.284495
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=NC(=C(N=C6C7=C5C=C(C=C7)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C#N)C#N
InChI
InChI=1S/C54H34N6/c55-35-51-52(36-56)58-54-48-32-26-40(38-23-29-46(30-24-38)60(43-17-9-3-10-18-43)44-19-11-4-12-20-44)34-50(48)49-33-39(25-31-47(49)53(54)57-51)37-21-27-45(28-22-37)59(41-13-5-1-6-14-41)42-15-7-2-8-16-42/h1-34H
InChIKey
WVSUMKLEIJMDDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
60
Aromatic heavy atom count
54
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
244.22
TPSA
79.84

LogP / Solubility

WLOGP
13.95
MLOGP
12.35
XLogP3
12.6
Consensus LogP
12.97
Log S (ESOL)
-13.52
Class (ESOL)
Insoluble
Log S (Ali)
-15.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.19
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)
2.51

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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