化学式

CAS号

IUPAC Name

4-[2-[5,10,15,20-四(4-甲基苯基)-21,22-dihydroporphyrin-2-基]乙炔]-16,18-dioxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-17-酮 4-[2-[5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin-2-yl]ethynyl]-16,18-dioxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-17-one

InChI

InChI=1S/C67H48N4O3/c1-37-9-19-42(20-10-37)58-51-29-30-52(68-51)59(43-21-11-38(2)12-22-43)54-33-34-56(70-54)61(45-25-15-40(4)16-26-45)64-46(36-57(71-64)60(55-32-31-53(58)69-55)44-23-13-39(3)14-24-44)27-17-41-18-28-49-50(35-41)63-48-8-6-5-7-47(48)62(49)65-66(63)74-67(72)73-65/h5-16,18-26,28-36,62-63,65-66,69,71H,1-4H3

InChI Key

NKWJGHBSSTWUGA-UHFFFAOYSA-N

Canonical SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C)C#CC9=CC1=C(C=C9)C2C4C(C1C1=CC=CC=C21)OC(=O)O4)C1=CC=C(C=C1)C)N3

别名