![CAS 222319-05-3 2,7-Bis[N-(1-naphthyl)anilino]-9,9-dimethylfluorene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4926-jpgcontextbwfzdgvyfhjvb3r8mzc2ndr8aw1hz2uvanblz3xondgvadg2lzg5mjkxndm0odg1ndivqjq5mjyuanbnfdm0mzg5nwiwzjjizdflzmqyndg3m2i3zjqynmzkogzizmuxnwyyzjcyztk4mdcwntzinmq2y2uymjzjyzkzogm.jpeg)
CAS RN: 222319-05-3
2,7-Bis[N-(1-naphthyl)anilino]-9,9-dimethylfluorene
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: SSC-107053
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: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
222319-05-3 / 9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
Basic Information
CAS
222319-05-3
Multi CAS
No
Molecular Formula
C47H36N2
Molecular Weight
628.800000
Exact Mass
628.287849
SMILES
CC1(C2=C(C=CC(=C2)N(C3=CC=CC=C3)C4=CC=CC5=CC=CC=C54)C6=C1C=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC9=CC=CC=C98)C
InChI
InChI=1S/C47H36N2/c1-47(2)43-31-37(48(35-19-5-3-6-20-35)45-25-13-17-33-15-9-11-23-39(33)45)27-29-41(43)42-30-28-38(32-44(42)47)49(36-21-7-4-8-22-36)46-26-14-18-34-16-10-12-24-40(34)46/h3-32H,1-2H3
InChIKey
KJEQVQJWXVHKGT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Aromatic heavy atom count
44
Fraction Csp3
0.06
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
208.38
TPSA
6.48
LogP / Solubility
WLOGP
13.24
MLOGP
11.7
XLogP3
13.4
Consensus LogP
12.78
Log S (ESOL)
-12.35
Class (ESOL)
Insoluble
Log S (Ali)
-14.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.46
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)
2.84
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
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