Benzamide,N,N'-[(7,14-dihydro-7,14-dioxodibenzo[b,def]chrysene-2,9-diyl)bis[imino(9,10-dihydro-9,10-dioxo-4,1-anthracenediyl)]]bis- supplier

Name
N,N'-[(7,14-dihydro-7,14-dioxodibenzo[b,def]chrysene-2,9-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)]]bis(benzamide)
EINECS 272-429-3
CAS No. 68834-03-7
Density 1.526 g/cm³
Solubility
Melting Point
Formula C₆₆H₃₆N₄O₈
Boiling Point
Molecular Weight 1013.01
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Dibenzo[b,def]chrysene,benzamide deriv.;N,N'-[(7,14-dihydro-7,14-dioxodibenzo[b,def]chrysene-2,9-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)]]bis(benzamide);N,N'-{(7,14-Dioxo-7,14-dihydrodibenzo[c,pqr]tetraphene-2,9-diyl)bis[imino(9,10-dioxo-9,10-dihydroanthracene-4,1-diyl)]}dibenzamide;
PSA 191.66000
LogP 13.71920

Benzamide,N,N'-[(7,14-dihydro-7,14-dioxodibenzo[b,def]chrysene-2,9-diyl)bis[imino(9,10-dihydro-9,10-dioxo-4,1-anthracenediyl)]]bis- Specification

The Benzamide,N,N'-[(7,14-dihydro-7,14-dioxodibenzo[b,def]chrysene-2,9-diyl)bis[imino(9,10-dihydro-9,10-dioxo-4,1-anthracenediyl)]]bis-, with the CAS registry number 68834-05-9. Its EINECS number is 272-429-3. This chemical's molecular formula is C₆₆H₃₆N₄O₈ and formula weight is 1013.01. What's more, its IUPAC name is N,N'-{(7,14-dioxo-7,14-dihydrodibenzo[c,pqr]tetraphene-2,9-diyl)bis[imino(9,10-dioxo-9,10-dihydroanthracene-4,1-diyl)]}dibenzamide.

Physical properties of Benzamide,N,N'-[(7,14-dihydro-7,14-dioxodibenzo[b,def]chrysene-2,9-diyl)bis[imino(9,10-dihydro-9,10-dioxo-4,1-anthracenediyl)]]bis- are: (1)ACD/LogP: 10.01; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 10.01; (4)ACD/BCF (pH 5.5): 1000000; (5)ACD/KOC (pH 5.5): 6642490.5; (6)#H bond acceptors: 12; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 8; (9)Polar Surface Area: 149.52 Å²; (10)Index of Refraction: 1.833; (11)Molar Refractivity: 292.17 cm³; (12)Molar Volume: 663.4 cm³; (13)Surface Tension: 87.5 dyne/cm; (14)Density: 1.526 g/cm³.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=CC5=C(C=C4)C6=C7C(=CC=C8C7=C(C=C6)C(=O)C9=C8C=CC(=C9)NC1=C2C(=C(C=C1)NC(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1C2=O)C5=O)C(=O)C1=CC=CC=C1C3=O
(2)InChI: InChI=1S/C66H36N4O8/c71-59-45-25-24-40-38-22-20-36(68-50-28-30-52(70-66(78)34-13-5-2-6-14-34)58-56(50)62(74)42-16-8-10-18-44(42)64(58)76)32-48(38)60(72)46-26-23-39(53(45)54(40)46)37-21-19-35(31-47(37)59)67-49-27-29-51(69-65(77)33-11-3-1-4-12-33)57-55(49)61(73)41-15-7-9-17-43(41)63(57)75/h1-32,67-68H,(H,69,77)(H,70,78)
(3)InChIKey: FPYVZVAVJMWSOP-UHFFFAOYSA-N

Product Name

N,N'-[(7,14-dihydro-7,14-dioxodibenzo[b,def]chrysene-2,9-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)]]bis(benzamide)

Benzamide,N,N'-[(7,14-dihydro-7,14-dioxodibenzo[b,def]chrysene-2,9-diyl)bis[imino(9,10-dihydro-9,10-dioxo-4,1-anthracenediyl)]]bis- Specification

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