Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-bis[(4-methoxyphenyl)methyl]- supplier

Name
2,9-bis(p-methoxybenzyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
EINECS 280-472-4
CAS No. 83524-75-8
Article Data5
CAS DataBase
Density 1.476 g/cm³
Solubility
Melting Point 120-130 °C
Formula C₄₀H₂₆N₂O₆
Boiling Point
Molecular Weight 630.656
Flash Point
Transport Information
Appearance
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms C.I.71133;C.I. Pigment Black 32;N,N'-Bis(4-methoxybenzyl)perylene-3,4:9,10-bis(dicarboximide);Paliogen Black L 0086;Pigment Black 32;2,9-Bis(4-methoxybenzyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone;2,9-Bis(p-methoxybenzyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone;
PSA 96.60000
LogP 6.07680

Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-bis[(4-methoxyphenyl)methyl]- Specification

The Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-bis[(4-methoxyphenyl)methyl]-, with the CAS registry number 83524-75-8, is also known as N,N'-Bis(4-methoxybenzyl)perylene-3,4:9,10-bis(dicarboximide). It belongs to the product category of Organics. Its EINECS number is 280-472-4. This chemical's molecular formula is C₄₀H₂₆N₂O₆ and molecular weight is 630.64. What's more, its systematic name is 2,9-bis(4-methoxybenzyl)isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone.

Physical properties of Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-bis[(4-methoxyphenyl)methyl]- are: (1)ACD/LogP: 5.26; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.26; (4)ACD/LogD (pH 7.4): 5.26; (5)ACD/BCF (pH 5.5): 5830.11; (6)ACD/BCF (pH 7.4): 5830.11; (7)ACD/KOC (pH 5.5): 17260.9; (8)ACD/KOC (pH 7.4): 17260.9; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 93.22 Å²; (13)Index of Refraction: 1.813; (14)Molar Refractivity: 184.77 cm³; (15)Molar Volume: 426.9 cm³; (16)Polarizability: 73.25×10^-24cm³; (17)Surface Tension: 78 dyne/cm; (18)Density: 1.476 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)CN4C(=O)c3ccc9c2c(ccc(c23)C4=O)c5ccc8c6c5c9ccc6C(=O)N(Cc7ccc(OC)cc7)C8=O
(2)InChI: InChI=1S/C40H26N2O6/c1-47-23-7-3-21(4-8-23)19-41-37(43)29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)20-22-5-9-24(48-2)10-6-22)18-14-28(34(27)36)26-12-16-30(38(41)44)35(29)33(25)26/h3-18H,19-20H2,1-2H3
(3)InChIKey: LQDAMBYDGRGJGA-UHFFFAOYSA-N

Product Name

2,9-bis(p-methoxybenzyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone

Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-bis[(4-methoxyphenyl)methyl]- Specification

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