Cyclopentanone,2,5-bis[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]- supplier

Name
2,5-BIS[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]CYCLOPENTANONE
EINECS
CAS No. 27713-85-5
Density 1.227 g/cm³
Solubility
Melting Point
Formula C₃₁H₃₄N₂O
Boiling Point 590.1 °C at 760 mmHg
Molecular Weight 450.624
Flash Point 234.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclopentanone,2,5-bis[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]- (9CI);Cyclopentanone, 2,5-bis[2-(1,3,3-trimethyl-2-indolinylidene)ethylidene]- (8CI);2,5-Bis[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-cyclopentanone;Cyclopentanone, 2,5-bis[2-(1,3,3-trimethyl-2-indolinylidene)ethylidene]-;cyclopentanone,2,5-bis[(1,3-dihydro-1,3,3-trimethyl-2h-indol-2-ylidene)ethylid;
PSA 23.55000
LogP 6.95510

Cyclopentanone,2,5-bis[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]- Specification

The CAS register number of Cyclopentanone,2,5-bis[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]- is 27713-85-5. It also can be called as cyclopentanone,2,5-bis[(1,3-dihydro-1,3,3-trimethyl-2h-indol-2-ylidene)ethylid and the systematic name about this chemical is 2,5-bis[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclopentanone. The molecular formula about this chemical is C₃₁H₃₄N₂O and the molecular weight is 450.61.

Physical properties about Cyclopentanone,2,5-bis[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]- are: (1)ACD/LogP: 6.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.01; (4)ACD/LogD (pH 7.4): 6.01; (5)ACD/BCF (pH 5.5): 21893.55; (6)ACD/BCF (pH 7.4): 21897.35; (7)ACD/KOC (pH 5.5): 44500.27; (8)ACD/KOC (pH 7.4): 44507.99; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 23.55 Å²; (12)Index of Refraction: 1.732; (13)Molar Refractivity: 146.9 cm³; (14)Molar Volume: 366.9 cm³; (15)Polarizability: 58.23x10^-24cm³; (16)Surface Tension: 62.7 dyne/cm; (17)Density: 1.227 g/cm³; (18)Flash Point: 234.1 °C; (19)Enthalpy of Vaporization: 88.05 kJ/mol; (20)Boiling Point: 590.1 °C at 760 mmHg; (21)Vapour Pressure: 6.72E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(c2ccccc2N(C1=CC=C3CCC(=CC=C4C(c5ccccc5N4C)(C)C)C3=O)C)C
(2)InChI: InChI=1/C31H34N2O/c1-30(2)23-11-7-9-13-25(23)32(5)27(30)19-17-21-15-16-22(29(21)34)18-20-28-31(3,4)24-12-8-10-14-26(24)33(28)6/h7-14,17-20H,15-16H2,1-6H3
(3)InChIKey: SIWKBGVGJRAPKY-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C31H34N2O/c1-30(2)23-11-7-9-13-25(23)32(5)27(30)19-17-21-15-16-22(29(21)34)18-20-28-31(3,4)24-12-8-10-14-26(24)33(28)6/h7-14,17-20H,15-16H2,1-6H3
(5)Std. InChIKey: SIWKBGVGJRAPKY-UHFFFAOYSA-N

Product Name

2,5-BIS[(E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]CYCLOPENTANONE

Cyclopentanone,2,5-bis[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]- Specification

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