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CAS 1166-18-3 3,3′-DIPHENYLBIPHENYL molecular structure lightbox
CAS RN: 1166-18-3

3,3′-DIPHENYLBIPHENYL

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260126 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1166-18-3
  • Purity/Analytical Methods: >99.0%
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1166-18-3 / 1-phenyl-3-(3-phenylphenyl)benzene

QUATERPHENYL | M-QUATERPHENYL | 1,1':3',1'':3'',1'''-Quaterphenyl

Standard CAS: 1166-18-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1166-18-3
Multi CAS
No
Molecular Formula
C24H18
Molecular Weight
306.400000
Exact Mass
306.140851
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC(=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H18/c1-3-9-19(10-4-1)21-13-7-15-23(17-21)24-16-8-14-22(18-24)20-11-5-2-6-12-20/h1-18H
InChIKey
OWPJBAYCIXEHFA-UHFFFAOYSA-N
Synonyms
QUATERPHENYL M-QUATERPHENYL 1,1':3',1'':3'',1'''-Quaterphenyl m-Quaterphenyl (8CI) m-Tetraphenyl

Physical Properties

Physical Description
Other Solid Waxy solid; [EPA ChAMP: Hazard Characterization]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
24
Rotatable bonds
3
Molar refractivity
102.75
TPSA
0.0000

LogP / Solubility

WLOGP
6.69
MLOGP
5.9
XLogP3
6.8
Consensus LogP
6.46
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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

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