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CAS 175606-05-0 Bisbenz[5,6]indeno[1,2,3-cd:1′,2′,3′-lM]perylene, 5,10,15,20-tetraphenyl- molecular structure lightbox
CAS RN: 175606-05-0

Bisbenz[5,6]indeno[1,2,3-cd:1′,2′,3′-lM]perylene, 5,10,15,20-tetraphenyl-

  • Product code: SSC-077038
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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: 0.25g
  • 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 175606-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

175606-05-0 / 7,14,25,32-tetraphenylundecacyclo[21.13.2.22,5.03,19.04,16.06,15.08,13.020,37.024,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34(38),35,39-icosaene

Standard CAS: 175606-05-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175606-05-0
Multi CAS
No
Molecular Formula
C64H36
Molecular Weight
805.000000
Exact Mass
804.281701
SMILES
C1=CC=C(C=C1)C2=C3C4=C5C(=CC=C6C5=C(C=C4)C7=C8C6=CC=C9C8=C(C=C7)C1=C(C4=CC=CC=C4C(=C91)C1=CC=CC=C1)C1=CC=CC=C1)C3=C(C1=CC=CC=C12)C1=CC=CC=C1
InChI
InChI=1S/C64H36/c1-5-17-37(18-6-1)53-41-25-13-14-26-42(41)54(38-19-7-2-8-20-38)62-50-34-30-46-48-32-36-52-60-51(35-31-47(58(48)60)45-29-33-49(61(53)62)59(50)57(45)46)63-55(39-21-9-3-10-22-39)43-27-15-16-28-44(43)56(64(52)63)40-23-11-4-12-24-40/h1-36H
InChIKey
WPPDXAHGCGPUPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
64
Aromatic heavy atom count
64
Rotatable bonds
4
Molar refractivity
273.27
TPSA
0.0000

LogP / Solubility

WLOGP
18.01
MLOGP
15.92
XLogP3
17.4
Consensus LogP
17.11
Log S (ESOL)
-16.65
Class (ESOL)
Insoluble
Log S (Ali)
-19.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.32
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)
5.15

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
10

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