CAS RN: 1075723-01-1
(2E)-3-cyclopenta-2,4-dien-1-ylidene-2-(3-cyclopenta-2,4-dien-1-ylidene-1H-indol-2-ylidene)-1H-indole
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.20260504 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1075723-01-1
- Purity/Analytical Methods: >99.0%
1075723-01-1 / 3-cyclopenta-2,4-dien-1-ylidene-2-(3-cyclopenta-2,4-dien-1-ylidene-1H-indol-2-ylidene)-1H-indole
Fulvene-5 | (E)-3,3'-bis(cyclopenta-2,4-dien-1-ylidene)-1H,1'H,3H,3'H-2,2'-biindolylidene | SCHEMBL14003644
Basic Information
CAS
1075723-01-1
Multi CAS
Yes
Molecular Formula
C26H18N2
Molecular Weight
358.400000
Exact Mass
358.146999
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=C3)C(=C4C(=C5C=CC=C5)C6=CC=CC=C6N4)N2
InChI
InChI=1S/C26H18N2/c1-2-10-17(9-1)23-19-13-5-7-15-21(19)27-25(23)26-24(18-11-3-4-12-18)20-14-6-8-16-22(20)28-26/h1-16,27-28H
InChIKey
SELCTRAHLFTCQL-UHFFFAOYSA-N
Synonyms
Fulvene-5
(E)-3,3'-bis(cyclopenta-2,4-dien-1-ylidene)-1H,1'H,3H,3'H-2,2'-biindolylidene
SCHEMBL14003644
SCHEMBL30129821
3-(2,4-Cyclopentadien-1-ylidene)-2-[3-(2,4- cyclopentadien-1-ylidene)-1,3-dihydro-2H-indol-2- ylidene]-2,3-dihydro-1H-indole
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
H-bond acceptors
2
H-bond donors
2
Molar refractivity
116.9
TPSA
31.58
LogP / Solubility
WLOGP
4.49
MLOGP
3.97
XLogP3
5.4
Consensus LogP
4.62
Log S (ESOL)
-5.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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