![CAS 1364602-61-8 N-(9,9-dimethyl-9H-fluoren-2-yl)-9,9′-spirobi[fluoren]-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1364602-61-8(2).gif)
CAS RN: 1364602-61-8
N-(9,9-dimethyl-9H-fluoren-2-yl)-9,9′-spirobi[fluoren]-2-amine
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.20250208 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1364602-61-8
- Purity/Analytical Methods: >99.0%
1364602-61-8 / N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
Basic Information
CAS
1364602-61-8
Multi CAS
No
Molecular Formula
C40H29N
Molecular Weight
523.700000
Exact Mass
523.230000
SMILES
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8C9=CC=CC=C79)C
InChI
InChI=1S/C40H29N/c1-39(2)33-15-7-3-11-27(33)31-21-19-25(23-37(31)39)41-26-20-22-32-30-14-6-10-18-36(30)40(38(32)24-26)34-16-8-4-12-28(34)29-13-5-9-17-35(29)40/h3-24,41H,1-2H3
InChIKey
LQBFKTGSDZZFEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
36
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
170.03
TPSA
12.03
LogP / Solubility
WLOGP
10.08
MLOGP
8.91
XLogP3
10.4
Consensus LogP
9.8
Log S (ESOL)
-9.95
Class (ESOL)
Insoluble
Log S (Ali)
-11.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.67
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)
1.24
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8
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![CAS 1364602-88-9 N-([1,1′-biphenyl]-4-yl)-N-(9,9-dimethyl-9H-fluoren-2-yl)-9,9′-spirobi[fluoren]-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1364602-88-9.gif)
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