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CAS 123174-58-3 N,N’-Bis(2,6-diisopropylphenyl)-1,6,7,12-tetraphenoxy-3,4,9,10-perylenetetracarboxylic Diimide molecular structure lightbox
CAS RN: 123174-58-3

N,N’-Bis(2,6-diisopropylphenyl)-1,6,7,12-tetraphenoxy-3,4,9,10-perylenetetracarboxylic Diimide

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250606 10g In stock Shanghai Inquiry
Batchno.20250911 1g In stock Shanghai Inquiry
Batchno.20251217 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
Batchno.20250808 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250417 5g In stock Shanghai Inquiry
  • Product code: SSC-026779
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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 123174-58-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

123174-58-3 / 7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,8,17,19-tetrone

Standard CAS: 123174-58-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
123174-58-3
Multi CAS
No
Molecular Formula
C72H58N2O8
Molecular Weight
1079.200000
Exact Mass
1078.419317
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=CC(=C4C5=C(C=C6C7=C5C(=C(C=C7C(=O)N(C6=O)C8=C(C=CC=C8C(C)C)C(C)C)OC9=CC=CC=C9)C1=C(C=C(C3=C41)C2=O)OC1=CC=CC=C1)OC1=CC=CC=C1)OC1=CC=CC=C1
InChI
InChI=1S/C72H58N2O8/c1-39(2)47-31-21-32-48(40(3)4)67(47)73-69(75)51-35-55(79-43-23-13-9-14-24-43)61-63-57(81-45-27-17-11-18-28-45)37-53-60-54(72(78)74(71(53)77)68-49(41(5)6)33-22-34-50(68)42(7)8)38-58(82-46-29-19-12-20-30-46)64(66(60)63)62-56(80-44-25-15-10-16-26-44)36-52(70(73)76)59(51)65(61)62/h9-42H,1-8H3
InChIKey
ZZSIDSMUTXFKNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
82
Aromatic heavy atom count
56
Fraction Csp3
0.17
Rotatable bonds
14
H-bond acceptors
8
Molar refractivity
325.24
TPSA
111.68

LogP / Solubility

WLOGP
19
MLOGP
16.83
XLogP3
17.4
Consensus LogP
17.74
Log S (ESOL)
-18.08
Class (ESOL)
Insoluble
Log S (Ali)
-22.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
4.19

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 104 of 104 companies. For more detailed information, please visit ECHA C&L website. Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website. Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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