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CAS 1188546-10-2 10-[4′-(Diphenylamino)[1,1′-biphenyl]-4-yl]-9(10H)-acridinone molecular structure lightbox
CAS RN: 1188546-10-2

10-[4′-(Diphenylamino)[1,1′-biphenyl]-4-yl]-9(10H)-acridinone

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  • Product code: starshine_CAS1188546-10-2
  • Purity/Analytical Methods: >99.0%
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1188546-10-2 / 10-[4-[4-(N-phenylanilino)phenyl]phenyl]acridin-9-one

10-(4'-(Diphenylamino)-[1,1'-biphenyl]-4-yl)acridin-9(10H)-one | 10-[4'-(diphenylamino)-[1,1'-biphenyl]-4-yl]-9,10-dihydroacridin-9-one | SCHEMBL13031224

Standard CAS: 1188546-10-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1188546-10-2
Multi CAS
Yes
Molecular Formula
C37H26N2O
Molecular Weight
514.600000
Exact Mass
514.204513
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C6=CC=CC=C6C(=O)C7=CC=CC=C75
InChI
InChI=1S/C37H26N2O/c40-37-33-15-7-9-17-35(33)39(36-18-10-8-16-34(36)37)32-25-21-28(22-26-32)27-19-23-31(24-20-27)38(29-11-3-1-4-12-29)30-13-5-2-6-14-30/h1-26H
InChIKey
AZKNLRRXRBAHSD-UHFFFAOYSA-N
Synonyms
10-(4'-(Diphenylamino)-[1,1'-biphenyl]-4-yl)acridin-9(10H)-one 10-[4'-(diphenylamino)-[1,1'-biphenyl]-4-yl]-9,10-dihydroacridin-9-one SCHEMBL13031224 SCHEMBL29512110 HS-8132

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
38
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
167.17
TPSA
25.24

LogP / Solubility

WLOGP
9.28
MLOGP
8.2
XLogP3
9.5
Consensus LogP
8.99
Log S (ESOL)
-9.25
Class (ESOL)
Insoluble
Log S (Ali)
-10.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.31
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)
0.73

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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