[email protected]
CAS 1469705-37-0 4CzIPN-Ph molecular structure lightbox
CAS RN: 1469705-37-0

4CzIPN-Ph

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251215 100mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20260420 1g In stock Shanghai Inquiry
Batchno.20260502 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20250114 50mg In stock Shanghai Inquiry
Batchno.20260523 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260121 100mg In stock Shandong Inquiry
Batchno.20250325 1g Out of stock 15 business days Inquiry
Batchno.20251028 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1469705-37-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1469705-37-0 / 2,4,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile

Standard CAS: 1469705-37-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1469705-37-0
Multi CAS
No
Molecular Formula
C104H64N6
Molecular Weight
1397.700000
Exact Mass
1397.522601
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC=CC=C5)C6=C(C(=C(C(=C6C#N)N7C8=C(C=C(C=C8)C9=CC=CC=C9)C1=C7C=CC(=C1)C1=CC=CC=C1)N1C2=C(C=C(C=C2)C2=CC=CC=C2)C2=C1C=CC(=C2)C1=CC=CC=C1)N1C2=C(C=C(C=C2)C2=CC=CC=C2)C2=C1C=CC(=C2)C1=CC=CC=C1)C#N
InChI
InChI=1S/C104H64N6/c105-65-91-101(107-93-49-41-75(67-25-9-1-10-26-67)57-83(93)84-58-76(42-50-94(84)107)68-27-11-2-12-28-68)92(66-106)103(109-97-53-45-79(71-33-17-5-18-34-71)61-87(97)88-62-80(46-54-98(88)109)72-35-19-6-20-36-72)104(110-99-55-47-81(73-37-21-7-22-38-73)63-89(99)90-64-82(48-56-100(90)110)74-39-23-8-24-40-74)102(91)108-95-51-43-77(69-29-13-3-14-30-69)59-85(95)86-60-78(44-52-96(86)108)70-31-15-4-16-32-70/h1-64H
InChIKey
JKYHVKMIXLRMJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
110
Aromatic heavy atom count
106
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
456.72
TPSA
67.3

LogP / Solubility

WLOGP
27.15
MLOGP
24.04
XLogP3
26.7
Consensus LogP
25.96
Log S (ESOL)
-25.53
Class (ESOL)
Insoluble
Log S (Ali)
-30.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-32.72
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)
8.03

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us