CAS RN: 1174006-43-9
2,9-Bis(naphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250107 | 200mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1174006-43-9
- Purity/Analytical Methods: >99.0%
1174006-43-9 / 2,9-dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline
2,9-di(naphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline | DTXSID60695173 | RefChem:248995
Basic Information
CAS
1174006-43-9
Multi CAS
No
Molecular Formula
C44H28N2
Molecular Weight
584.700000
Exact Mass
584.225249
SMILES
C1=CC=C(C=C1)C2=CC(=NC3=C2C=CC4=C3N=C(C=C4C5=CC=CC=C5)C6=CC7=CC=CC=C7C=C6)C8=CC9=CC=CC=C9C=C8
InChI
InChI=1S/C44H28N2/c1-3-13-31(14-4-1)39-27-41(35-21-19-29-11-7-9-17-33(29)25-35)45-43-37(39)23-24-38-40(32-15-5-2-6-16-32)28-42(46-44(38)43)36-22-20-30-12-8-10-18-34(30)26-36/h1-28H
InChIKey
XESMNQMWRSEIET-UHFFFAOYSA-N
Synonyms
2,9-di(naphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
DTXSID60695173
RefChem:248995
DTXCID70645922
2,9-BIS(NAPHTHALEN-2-YL)-4,7-DIPHENYL-1,10-PHENANTHROLINE
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
46
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
193.8
TPSA
25.78
LogP / Solubility
WLOGP
11.76
MLOGP
10.39
XLogP3
11.5
Consensus LogP
11.22
Log S (ESOL)
-11.35
Class (ESOL)
Insoluble
Log S (Ali)
-12.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.7
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)
2.06
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
7
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