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CAS 1372778-68-1 N-([1,1′:3′,1”-Terphenyl]-5′-yl)-9,9-dimethyl-9H-fluoren-2-amine molecular structure lightbox
CAS RN: 1372778-68-1

N-([1,1′:3′,1”-Terphenyl]-5′-yl)-9,9-dimethyl-9H-fluoren-2-amine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250621 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-046742
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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: ＞97%
  • 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 1372778-68-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1372778-68-1 / N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-amine

Standard CAS: 1372778-68-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1372778-68-1
Multi CAS
No
Molecular Formula
C33H27N
Molecular Weight
437.600000
Exact Mass
437.214350
SMILES
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=CC(=CC(=C4)C5=CC=CC=C5)C6=CC=CC=C6)C
InChI
InChI=1S/C33H27N/c1-33(2)31-16-10-9-15-29(31)30-18-17-27(22-32(30)33)34-28-20-25(23-11-5-3-6-12-23)19-26(21-28)24-13-7-4-8-14-24/h3-22,34H,1-2H3
InChIKey
XEGCRHCBYHQFMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
30
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
144.6
TPSA
12.03

LogP / Solubility

WLOGP
9.07
MLOGP
8.01
XLogP3
9.2
Consensus LogP
8.76
Log S (ESOL)
-8.66
Class (ESOL)
Insoluble
Log S (Ali)
-9.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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