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CAS No.: | 216-07-9 |
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Name: | tetrabenzo[a,c,l,n]pentacene |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C38H22 |
Molecular Weight: | 478.593 |
Synonyms: | Tetrabenz[a,c,l,n]pentacene |
Density: | 1.32g/cm3 |
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The Tetrabenzo[a,c,l,n]pentacene(6CI,7CI,8CI,9CI), with CAS registry number 216-07-9, has the systematic name of tetrabenzo[a,c,l,n]pentacene. And the chemical formula of this chemical is C38H22. Its molecular weight is 478.5813.
Physical properties of Tetrabenzo[a,c,l,n]pentacene(6CI,7CI,8CI,9CI): (1)ACD/LogP: 12.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.06; (4)ACD/LogD (pH 7.4): 12.06; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.903; (14)Molar Refractivity: 168.99 cm3; (15)Molar Volume: 362.3 cm3; (16)Polarizability: 66.99×10-24cm3; (17)Surface Tension: 67.3 dyne/cm; (18)Density: 1.32 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: c9cc8c1c(cccc1)c7cc6cc5cc4c2ccccc2c3ccccc3c4cc5cc6cc7c8cc9
(2)InChI: InChI=1/C38H22/c1-5-13-31-27(9-1)28-10-2-6-14-32(28)36-20-24-18-26-22-38-34-16-8-4-12-30(34)29-11-3-7-15-33(29)37(38)21-25(26)17-23(24)19-35(31)36/h1-22H
(3)InChIKey: RIQXSPGGOGYAPV-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C38H22/c1-5-13-31-27(9-1)28-10-2-6-14-32(28)36-20-24-18-26-22-38-34-16-8-4-12-30(34)29-11-3-7-15-33(29)37(38)21-25(26)17-23(24)19-35(31)36/h1-22H
(5)Std. InChIKey: RIQXSPGGOGYAPV-UHFFFAOYSA-N