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CAS 182507-83-1 N,N’-Di(9-phenanthrenyl)-N,N’-diphenylbenzidine molecular structure lightbox
CAS RN: 182507-83-1

N,N’-Di(9-phenanthrenyl)-N,N’-diphenylbenzidine

Product Availability

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250116 1g In stock Inquiry
Batchno.20251016 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260307 100mg / 200mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-084520
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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 182507-83-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

182507-83-1 / N-[4-[4-(N-phenanthren-9-ylanilino)phenyl]phenyl]-N-phenylphenanthren-9-amine

Standard CAS: 182507-83-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
182507-83-1
Multi CAS
No
Molecular Formula
C52H36N2
Molecular Weight
688.900000
Exact Mass
688.287849
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC6=CC=CC=C6C7=CC=CC=C75)C8=CC9=CC=CC=C9C1=CC=CC=C18
InChI
InChI=1S/C52H36N2/c1-3-17-41(18-4-1)53(51-35-39-15-7-9-21-45(39)47-23-11-13-25-49(47)51)43-31-27-37(28-32-43)38-29-33-44(34-30-38)54(42-19-5-2-6-20-42)52-36-40-16-8-10-22-46(40)48-24-12-14-26-50(48)52/h1-36H
InChIKey
LBFXFIPIIMAZPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
52
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
231.27
TPSA
6.48

LogP / Solubility

WLOGP
14.91
MLOGP
13.18
XLogP3
15
Consensus LogP
14.36
Log S (ESOL)
-13.75
Class (ESOL)
Insoluble
Log S (Ali)
-15.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.35
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)
3.66

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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