SF-PDI

Catalog Number

1643842-69-6

CAS

1643842-69-6

Synonyms

1-(3-Butoxycarbonylpropyl)-1-phenyl-[6.6]C61

Molecular Weight

1822.44

Molecular Formula

C125H136N4O8

Product Information

Physical State

Solid

Melting Point

>280 °C

Solubility

soluble in Chlorobenzene

Safety Information

Signal Word

Warning

Precautionary Statement

P261 P305+P351+P338

Hazard Statements

H315 H319 H335

WGK Germany

Canonical SMILES

O=C1N(C(CCCCCC)CCCCCC)C(C2=C(C1=CC=C3C4=C(C(C=C5)=CC6=C5C(C=CC(C7=CC8=C9C%10=C7C%11=C%12C(C%13=CC=C%12C%10=CC=C9C(N(C(CCCCCC)CCCCCC)C8=O)=O)=C(C(N(C(CCCCCC)CCCCCC)C%13=O)=O)C=C%11)=C%14)=C%14C6%15C%16=CC=CC=C%16C%17=C%15C=CC=C%17)C=C(C(N(C(CCCCCC)CCCCCC)C

InChI

InChI=1S/C125H136N4O8/c1-9-17-25-33-45-79(46-34-26-18-10-2)126-117(130)93-67-61-87-89-63-69-97-113-101(123(136)128(121(97)134)81(49-37-29-21-13-5)50-38-30-22-14-6)75-99(109(115(89)113)91-65-71-95(119(126)132)111(93)107(87)91)77-57-59-85-86-60-58-78(74-106(86)125(105(85)73-77)103-55-43-41-53-83(103)84-54-42-44-56-104(84)125)100-76-102-114-98(122(135)129(124(102)137)82(51-39-31-23-15-7)52-40-32-24-16-8)70-64-90-88-62-68-94-112-96(72-66-92(108(88)112)110(100)116(90)114)120(133)127(118(94)131)80(47-35-27-19-11-3)48-36-28-20-12-4/h41-44,53-76,79-82H,9-40,45-52H2,1-8H3

InChI Key

FYQVTINZMWVMSE-UHFFFAOYSA-N