4-[(10Z,14Z,19Z)-10,15,20-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-22,23-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-diene-1-thione

Systemtic Name: 4-[(10Z,14Z,19Z)-10,15,20-tris[2,3,4,5,6-pentakis(fluoranyl)phenyl]-22,23-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-diene-1-thione Openeye Name: 4-[(10Z,14Z,19Z)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-diene-1-thione CAS Name: 4-[(10Z,14Z,19Z)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-porphyrin-5-ylidene]-1-cyclohexa-2,5-dienethione IUPAC Name: 4-[(10Z,14Z,19Z)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-porphyrin-5-ylidene]cyclohexa-2,5-diene-1-thione Traditional Name: 4-[(10Z,14Z,19Z)-10,15,20-tris(2,3,4,5,6-pentafluorophenyl)-22,23-dihydro-21H-porphin-5-ylidene]cyclohexa-2,5-diene-1-thione Formula: C44H15F15N4S MolecularWeight: 916.657748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=S)C=CC1=C2C3=CC=C(N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2N6)C7=C(C(=C(C(=C7F)F)F)F)F)C=C5)C8=C(C(=C(C(=C8F)F)F)F)F)N4)C9=C(C(=C(C(=C9F)F)F)F)F

Isomeric SMILES

C1=CC(=S)C=CC1=C2C3=CC=C(N3)/C(=C\4/C=C/C(=C(/C5=N/C(=C(\C6=CC=C2N6)/C7=C(C(=C(C(=C7F)F)F)F)F)/C=C5)\C8=C(C(=C(C(=C8F)F)F)F)F)/N4)/C9=C(C(=C(C(=C9F)F)F)F)F

InChI

InChI=1S/C44H15F15N4S/c45-30-27(31(46)37(52)42(57)36(30)51)24-17-7-5-15(60-17)23(13-1-3-14(64)4-2-13)16-6-8-18(61-16)25(28-32(47)38(53)43(58)39(54)33(28)48)20-10-12-22(63-20)26(21-11-9-19(24)62-21)29-34(49)40(55)44(59)41(56)35(29)50/h1-12,60-62H/b24-19+,25-20+,26-21+