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CAS 1571136-18-9 5,11-di(4-bromophenyl)indolo[3,2-b]carbazole molecular structure lightbox
CAS RN: 1571136-18-9

5,11-di(4-bromophenyl)indolo[3,2-b]carbazole

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Batchno.20250907 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1571136-18-9
  • Purity/Analytical Methods: >99.0%
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1571136-18-9 / 5,11-bis(4-bromophenyl)indolo[3,2-b]carbazole

Standard CAS: 1571136-18-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1571136-18-9
Multi CAS
No
Molecular Formula
C30H18Br2N2
Molecular Weight
566.300000
Exact Mass
565.981620
SMILES
C1=CC=C2C(=C1)C3=CC4=C(C=C3N2C5=CC=C(C=C5)Br)C6=CC=CC=C6N4C7=CC=C(C=C7)Br
InChI
InChI=1S/C30H18Br2N2/c31-19-9-13-21(14-10-19)33-27-7-3-1-5-23(27)25-17-30-26(18-29(25)33)24-6-2-4-8-28(24)34(30)22-15-11-20(32)12-16-22/h1-18H
InChIKey
PKZINPGRQRTDQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
32
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
150.52
TPSA
9.86

LogP / Solubility

WLOGP
9.41
MLOGP
8.32
XLogP3
9.5
Consensus LogP
9.08
Log S (ESOL)
-9.84
Class (ESOL)
Insoluble
Log S (Ali)
-10.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.39
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)
0.5

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5

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