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CAS 1033035-83-4 2,7-Bis[N-(m-tolyl)anilino]-9,9′-spirobi[9H-fluorene] molecular structure lightbox
CAS RN: 1033035-83-4

2,7-Bis[N-(m-tolyl)anilino]-9,9′-spirobi[9H-fluorene]

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250425 1g Out of stock 8-10 business days Inquiry
Batchno.20250116 200mg In stock Shanghai Inquiry
  • Product code: SSC-004754
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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: ≥98%
  • 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 1033035-83-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Hong Kong Inquiry

1033035-83-4 / 2-N',7-N'-bis(3-methylphenyl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine

DTXSID40679936 | N~2~,N~7~-Bis(3-methylphenyl)-N~2~,N~7~-diphenyl-9,9'-spirobi(fluorene)-2,7-diamine | N~2~,N~7~-Bis(3-methylphenyl)-N~2~,N~7~-diphenyl-9,9'-spirobi[fluorene]-2,7-diamine

Standard CAS: 1033035-83-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1033035-83-4
Multi CAS
Yes
Molecular Formula
C51H38N2
Molecular Weight
678.900000
Exact Mass
678.303499
SMILES
CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=C(C46C7=CC=CC=C7C8=CC=CC=C68)C=C(C=C5)N(C9=CC=CC=C9)C1=CC=CC(=C1)C
InChI
InChI=1S/C51H38N2/c1-35-15-13-21-39(31-35)52(37-17-5-3-6-18-37)41-27-29-45-46-30-28-42(53(38-19-7-4-8-20-38)40-22-14-16-36(2)32-40)34-50(46)51(49(45)33-41)47-25-11-9-23-43(47)44-24-10-12-26-48(44)51/h3-34H,1-2H3
InChIKey
QZTQQBIGSZWRGI-UHFFFAOYSA-N
Synonyms
DTXSID40679936 N~2~,N~7~-Bis(3-methylphenyl)-N~2~,N~7~-diphenyl-9,9'-spirobi(fluorene)-2,7-diamine N~2~,N~7~-Bis(3-methylphenyl)-N~2~,N~7~-diphenyl-9,9'-spirobi[fluorene]-2,7-diamine RefChem:1093438 DTXCID60630685

Computed Properties

Structural Parameters

Heavy atom count
53
Aromatic heavy atom count
48
Fraction Csp3
0.06
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
221.58
TPSA
6.48

LogP / Solubility

WLOGP
13.59
MLOGP
12.01
XLogP3
13.6
Consensus LogP
13.07
Log S (ESOL)
-12.88
Class (ESOL)
Insoluble
Log S (Ali)
-14.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.07
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)
2.79

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

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