1H-Indole,3,3',3''-methylidynetris- supplier

Name
1H-Indole,3,3',3''-methylidynetris-
EINECS
CAS No. 518-06-9
Article Data2
CAS DataBase
Density 1.338 g/cm³
Solubility
Melting Point
Formula C₂₅H₁₉N₃
Boiling Point 660.7 °C at 760 mmHg
Molecular Weight 361.446
Flash Point 299 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole,3,3',3''-methylidynetri- (7CI,8CI);3,3',3''-Methylidynetriindole;NSC 78570;Tri-3-indolylmethane;Tris(1H-indol-3-yl)methane;
PSA
LogP

1H-Indole,3,3',3''-methylidynetris- Specification

The 1H-Indole,3,3',3''-methylidynetris-, with the CAS registry number 518-06-9, is also known as 1,1,1-Tris(3-indolyl)methane. This chemical's molecular formula is C₂₅H₁₉N₃ and molecular weight is 361.4385. Its systematic name is called 3,3',3''-methanetriyltris(1H-indole).

Physical properties of 1H-Indole,3,3',3''-methylidynetris-: (1)ACD/LogP: 5.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.46; (4)ACD/LogD (pH 7.4): 5.46; (5)ACD/BCF (pH 5.5): 8329.57; (6)ACD/BCF (pH 7.4): 8329.73; (7)ACD/KOC (pH 5.5): 22282.79; (8)ACD/KOC (pH 7.4): 22283.21; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.813; (13)Molar Refractivity: 116.79 cm³; (14)Molar Volume: 269.9 cm³; (15)Surface Tension: 70.2 dyne/cm; (16)Density: 1.338 g/cm³; (17)Flash Point: 299 °C; (18)Enthalpy of Vaporization: 93.7 kJ/mol; (19)Boiling Point: 660.7 °C at 760 mmHg; (20)Vapour Pressure: 1.36E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cccc2ncc(c12)C(c4cnc3ccccc34)c6cnc5ccccc56
(2)InChI: InChI=1/C25H19N3/c1-4-10-22-16(7-1)19(13-26-22)25(20-14-27-23-11-5-2-8-17(20)23)21-15-28-24-12-6-3-9-18(21)24/h1-15,25-28H
(3)InChIKey: AXZRNKFNIAOZEK-UHFFFAOYAI

Product Name

1H-Indole,3,3',3''-methylidynetris-

1H-Indole,3,3',3''-methylidynetris- Specification

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