[email protected]
CAS 1258780-50-5 9-Phenyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole molecular structure lightbox
CAS RN: 1258780-50-5

9-Phenyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251022 200mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-031233
GET A QUOTE
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
Request Bulk Quote

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 1258780-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1258780-50-5 / 9-phenyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

Standard CAS: 1258780-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1258780-50-5
Multi CAS
No
Molecular Formula
C56H37N5
Molecular Weight
779.900000
Exact Mass
779.304896
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)C5=NC6=CC=CC=C6N5C7=CC=CC=C7)C8=C2C=CC(=C8)C9=CC=C(C=C9)C1=NC2=CC=CC=C2N1C1=CC=CC=C1
InChI
InChI=1S/C56H37N5/c1-4-14-44(15-5-1)59-51-34-32-42(38-24-28-40(29-25-38)55-57-49-20-10-12-22-53(49)60(55)45-16-6-2-7-17-45)36-47(51)48-37-43(33-35-52(48)59)39-26-30-41(31-27-39)56-58-50-21-11-13-23-54(50)61(56)46-18-8-3-9-19-46/h1-37H
InChIKey
CWUOZRFIMAVZLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
61
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
251.78
TPSA
40.57

LogP / Solubility

WLOGP
14.13
MLOGP
12.5
XLogP3
13.9
Consensus LogP
13.51
Log S (ESOL)
-13.86
Class (ESOL)
Insoluble
Log S (Ali)
-16.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.3
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.55

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

Customers Also Viewed

Get In Touch

Contact Us