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CAS 1024598-01-3 11-(4,6-Diphenyl-[1,3,5]triazin-2-yl)-12-phenyl-11,12-dihydro-11,12-diaza-indeno[2,1-a]fluorene molecular structure lightbox
CAS RN: 1024598-01-3

11-(4,6-Diphenyl-[1,3,5]triazin-2-yl)-12-phenyl-11,12-dihydro-11,12-diaza-indeno[2,1-a]fluorene

  • Product code: SSC-003723
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1024598-01-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Shanghai Inquiry

1024598-01-3 / 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole

11-(4,6-Diphenyl-1,3,5-triazin-2-yl)-12-phenyl-11,12-dihydroindolo[2,3-a]carbazole | Indolo[2,3-a]carbazole, 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,12-dihydro-12-phenyl- | 2,4-diphenyl-6-{12-phenyl-11H,12H-indolo[2,3-a]carbazol-11-yl}-1,3,5-triazine

Standard CAS: 1024598-01-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1024598-01-3
Multi CAS
No
Molecular Formula
C39H25N5
Molecular Weight
563.600000
Exact Mass
563.210996
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C7=CC=CC=C7N6C8=CC=CC=C8)C9=CC=CC=C9
InChI
InChI=1S/C39H25N5/c1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h1-25H
InChIKey
VBJWDGGEJNGTET-UHFFFAOYSA-N
Synonyms
11-(4,6-Diphenyl-1,3,5-triazin-2-yl)-12-phenyl-11,12-dihydroindolo[2,3-a]carbazole Indolo[2,3-a]carbazole, 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-11,12-dihydro-12-phenyl- 2,4-diphenyl-6-{12-phenyl-11H,12H-indolo[2,3-a]carbazol-11-yl}-1,3,5-triazine MFCD32068129 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
44
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
179.38
TPSA
48.53

LogP / Solubility

WLOGP
9.4
MLOGP
8.32
XLogP3
9.8
Consensus LogP
9.17
Log S (ESOL)
-9.73
Class (ESOL)
Insoluble
Log S (Ali)
-10.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.61
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)
0.52

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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