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CAS 18923-59-6 PSS-DODECAPHENYL SUBSTITUTED molecular structure lightbox
CAS RN: 18923-59-6

PSS-DODECAPHENYL SUBSTITUTED

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS18923-59-6
  • Purity/Analytical Methods: >99.0%
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18923-59-6 / 1,3,5,7,9,11,13,15,17,19,21,23-dodecakis-phenyl-2,4,6,8,10,12,14,16,18,20,22,24,25,26,27,28,29,30-octadecaoxa-1,3,5,7,9,11,13,15,17,19,21,23-dodecasilaheptacyclo[11.11.1.13,9.15,21.17,19.111,17.115,23]triacontane

Standard CAS: 18923-59-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18923-59-6
Multi CAS
No
Molecular Formula
C72H60O18Si12
Molecular Weight
1550.300000
Exact Mass
1548.101083
SMILES
C1=CC=C(C=C1)[Si]23O[Si]4(O[Si]5(O[Si](O2)(O[Si]6(O[Si]7(O[Si]8(O[Si](O6)(O[Si](O3)(O[Si](O4)(O[Si](O8)(O[Si](O7)(O5)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChI
InChI=1S/C72H60O18Si12/c1-13-37-61(38-14-1)91-73-99(69-53-29-9-30-54-69)76-94(64-43-19-4-20-44-64)83-97(67-49-25-7-26-50-67)79-100(89-99,70-55-31-10-32-56-70)74-92(81-91,62-39-15-2-16-40-62)86-96(66-47-23-6-24-48-66)78-101(71-57-33-11-34-58-71)75-93(85-91,63-41-17-3-18-42-63)82-95(87-94,65-45-21-5-22-46-65)77-102(90-101,72-59-35-12-36-60-72)80-98(84-96,88-97)68-51-27-8-28-52-68/h1-60H
InChIKey
ZDJQTJDLPJRVLU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
102
Aromatic heavy atom count
72
Rotatable bonds
12
H-bond acceptors
18
Molar refractivity
401.49
TPSA
166.14

LogP / Solubility

WLOGP
4.53
MLOGP
4.15
XLogP3
4.53
Consensus LogP
4.4
Log S (ESOL)
-12.04
Class (ESOL)
Insoluble
Log S (Ali)
-15.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.94
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-8.96

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
10

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