[email protected]
CAS 1401080-25-8 9H-Carbazol-2-amine, N,9-diphenyl-N-9,9′-spirobi[9H-fluoren]-2-yl- molecular structure lightbox
CAS RN: 1401080-25-8

9H-Carbazol-2-amine, N,9-diphenyl-N-9,9′-spirobi[9H-fluoren]-2-yl-

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250219 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1401080-25-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1401080-25-8 / N,9-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine

Standard CAS: 1401080-25-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1401080-25-8
Multi CAS
No
Molecular Formula
C49H32N2
Molecular Weight
648.800000
Exact Mass
648.256549
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=CC=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=CC=CC=C1C1=CC=CC=C91
InChI
InChI=1S/C49H32N2/c1-3-15-33(16-4-1)50(36-28-30-42-41-22-10-14-26-47(41)51(48(42)32-36)34-17-5-2-6-18-34)35-27-29-40-39-21-9-13-25-45(39)49(46(40)31-35)43-23-11-7-19-37(43)38-20-8-12-24-44(38)49/h1-32H
InChIKey
KSSYAESWZGAXLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
49
Fraction Csp3
0.02
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
211.76
TPSA
8.17

LogP / Solubility

WLOGP
12.6
MLOGP
11.14
XLogP3
12.7
Consensus LogP
12.15
Log S (ESOL)
-12.25
Class (ESOL)
Insoluble
Log S (Ali)
-13.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.81
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)
2.27

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9

Customers Also Viewed

Get In Touch

Contact Us