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Propanedinitrile,2-[2-methyl-6-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]- (51325-95-2)

Identification
Name:Propanedinitrile,2-[2-methyl-6-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]-
Synonyms:Propanedinitrile,[2-methyl-6-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]-(9CI);DCJ;DCM 2;DCM 2(dye);DCM 684;DCM II;[2-Methyl-6-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran-4-ylidene]propanedinitrile;
CAS:51325-95-2
Molecular Formula: C23H21N3O
Molecular Weight: 355.43
InChI: InChI=1/C23H21N3O/c1-16-10-20(21(14-24)15-25)13-22(27-16)7-6-17-11-18-4-2-8-26-9-3-5-19(12-17)23(18)26/h6-7,10-13H,2-5,8-9H2,1H3
Molecular Structure: (C23H21N3O) Propanedinitrile,[2-methyl-6-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-4H-pyran...
Properties
Density:1.25
Refractive index:1.654
Specification:

The 4-(Dicyanomethylene)-2-methyl-6-(julolidin-4-ylvinyl)-4H-pyran with cas registry number of 51325-95-2, is also named 4-(Dicyanomethylene)-2-methyl-6-(julolidin-4-ylvinyl)-4H-pyran.

Physical properties about this chemical are: (1)ACD/LogP: 5.15; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.489; (4)ACD/LogD (pH 7.4): 5.131; (5)ACD/BCF (pH 5.5): 1053.275; (6)ACD/BCF (pH 7.4): 4620.613; (7)ACD/KOC (pH 5.5): 3289.383; (8)ACD/KOC (pH 7.4): 14430.194; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 60.05 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 103.565 cm3; (15)Molar Volume: 282.685 cm3; (16)Polarizability: 41.056×10-24cm3; (17)Surface Tension: 61.582 dyne/cm; (18)Enthalpy of Vaporization: 83.682 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: CC1=CC(=C(C#N)C#N)C=C(O1)C=Cc2cc3c4c(c2)CCCN4CCC3;
(2)InChI: InChI=1/C23H21N3O/c1-16-10-20(21(14-24)15-25)13-22(27-16)7-6-17-11-18-4-2-8-26-9-3-5-19(12-17)23(18)26/h6-7,10-13H,2-5,8-9H2,1H3;
(3)InChIKey: ZNJRONVKWRHYBF-UHFFFAOYAB;
(4)Std. InChI: InChI=1S/C23H21N3O/c1-16-10-20(21(14-24)15-25)13-22(27-16)7-6-17-11-18-4-2-8-26-9-3-5-19(12-17)23(18)26/h6-7,10-13H,2-5,8-9H2,1H3;
(5)Std. InChIKey: ZNJRONVKWRHYBF-UHFFFAOYSA-N

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