![CAS 1365840-52-3 9,9′-Spirobi[9H-fluoren]-2-amine, N-[1,1′-biphenyl]-2-yl-2′,7′-bis(1,1-dimethylethyl)-N-(9,9-dimethyl-9H-fluoren-2-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1365840-52-3.gif)
CAS RN: 1365840-52-3
9,9′-Spirobi[9H-fluoren]-2-amine, N-[1,1′-biphenyl]-2-yl-2′,7′-bis(1,1-dimethylethyl)-N-(9,9-dimethyl-9H-fluoren-2-yl)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250910 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1365840-52-3
- Purity/Analytical Methods: >99.0%
1365840-52-3 / 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
Basic Information
CAS
1365840-52-3
Multi CAS
No
Molecular Formula
C60H53N
Molecular Weight
788.100000
Exact Mass
787.417801
SMILES
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=C(C=CC(=C8)C(C)(C)C)C9=C7C=C(C=C9)C(C)(C)C)C1=CC=CC=C1C1=CC=CC=C1)C
InChI
InChI=1S/C60H53N/c1-57(2,3)39-26-30-47-48-31-27-40(58(4,5)6)35-54(48)60(53(47)34-39)51-24-16-13-22-45(51)49-33-29-42(37-55(49)60)61(56-25-17-14-20-43(56)38-18-10-9-11-19-38)41-28-32-46-44-21-12-15-23-50(44)59(7,8)52(46)36-41/h9-37H,1-8H3
InChIKey
YOGPJFSYRIXXKO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
48
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
257.82
TPSA
3.24
LogP / Solubility
WLOGP
16.07
MLOGP
14.21
XLogP3
17.1
Consensus LogP
15.79
Log S (ESOL)
-15.17
Class (ESOL)
Insoluble
Log S (Ali)
-17.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.6
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)
3.88
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
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