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CAS 1174006-47-3 9,9-Bis[4-(1-pyrenyl)phenyl]fluorene molecular structure lightbox
CAS RN: 1174006-47-3

9,9-Bis[4-(1-pyrenyl)phenyl]fluorene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250902 200mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-017240
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥96%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1174006-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥96% 0 Out of Stock Beijing Inquiry

1174006-47-3 / 1-[4-[9-(4-pyren-1-ylphenyl)fluoren-9-yl]phenyl]pyrene

9,9-BIS[4-(PYRENYL)PHENYL]-9H-FLUORENE | 9,9-Bis[4-(1-pyrenyl)phenyl]fluorene | 1-[4-[9-(4-pyren-1-ylphenyl)fluoren-9-yl]phenyl]pyrene

Standard CAS: 1174006-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1174006-47-3
Multi CAS
No
Molecular Formula
C57H34
Molecular Weight
718.900000
Exact Mass
718.266051
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=CC=C(C=C9)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChI
InChI=1S/C57H34/c1-3-13-51-47(11-1)48-12-2-4-14-52(48)57(51,43-27-19-35(20-28-43)45-31-23-41-17-15-37-7-5-9-39-25-33-49(45)55(41)53(37)39)44-29-21-36(22-30-44)46-32-24-42-18-16-38-8-6-10-40-26-34-50(46)56(42)54(38)40/h1-34H
InChIKey
WHLKCPQPGTUZBU-UHFFFAOYSA-N
Synonyms
9,9-BIS[4-(PYRENYL)PHENYL]-9H-FLUORENE 9,9-Bis[4-(1-pyrenyl)phenyl]fluorene 1-[4-[9-(4-pyren-1-ylphenyl)fluoren-9-yl]phenyl]pyrene 1,1'-((9H-Fluorene-9,9-diyl)bis(4,1-phenylene))dipyrene MFCD12022454

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
56
Fraction Csp3
0.02
Rotatable bonds
4
Molar refractivity
242.03
TPSA
0.0000

LogP / Solubility

WLOGP
15.18
MLOGP
13.42
XLogP3
16.1
Consensus LogP
14.9
Log S (ESOL)
-14.32
Class (ESOL)
Insoluble
Log S (Ali)
-16.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.41
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)
3.67

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
9

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