C216H126N28O8 — CID 134989182
8,20,32,44-tetrakis[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone (PubChem CID 134989182) has the molecular formula C216H126N28O8 and a molecular weight of 3241.57 g/mol. Its IUPAC name is 8,20,32,44-tetrakis[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone.
| Compound Name | 8,20,32,44-tetrakis[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone |
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| PubChem CID | 134989182 |
| Molecular Formula | C216H126N28O8 |
| Molecular Weight | 3241.57 g/mol |
| Exact Mass | 3239.03 |
| IUPAC Name | 8,20,32,44-tetrakis[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-2,8,14,20,26,32,38,44,49,50,51,52-dodecazatridecacyclo[37.9.1.13,13.115,25.127,37.04,12.06,10.016,24.018,22.028,36.030,34.040,48.042,46]dopentaconta-1,3,5,10,12,14,16,18(22),23,25(51),26,28,30(34),35,37,39(49),40,42(46),47-nonadecaene-7,9,19,21,31,33,43,45-octone |
| SMILES | O=C1c2cc3c(cc2C(=O)N1c1ccc(-c2c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc2[nH]6)C=C5)C=C4)cc1)-c1nc-3nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc5c(cc41)C(=O)N(c1ccc(-c4c6nc(c(-c7ccccc7)c7ccc([nH]7)c(-c7ccccc7)c7nc(c(-c8ccccc8)c8ccc4[nH]8)C=C7)C=C6)cc1)C5=O)-c1cc4c(cc1-3)C(=O)N(c1ccc(-c3c5nc(c(-c6ccccc6)c6ccc([nH]6)c(-c6ccccc6)c6nc(c(-c7ccccc7)c7ccc3[nH]7)C=C6)C=C5)cc1)C4=O)c1cc3c(cc21)C(=O)N(c1ccc(-c2c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc2[nH]6)C=C5)C=C4)cc1)C3=O |
| InChI | InChI=1S/C216H126N28O8/c245-209-145-109-137-138(110-146(145)210(246)241(209)133-69-61-129(62-70-133)197-177-101-93-169(225-177)189(121-45-21-5-22-46-121)161-85-77-153(217-161)185(117-37-13-1-14-38-117)154-78-86-162(218-154)190(122-47-23-6-24-48-122)170-94-102-178(197)226-170)202-233-201(137)237-203-139-111-147-149(213(249)242(211(147)247)134-71-63-130(64-72-134)198-179-103-95-171(227-179)191(123-49-25-7-26-50-123)163-87-79-155(219-163)186(118-39-15-2-16-40-118)156-80-88-164(220-156)192(124-51-27-8-28-52-124)172-96-104-180(198)228-172)113-141(139)205(234-203)239-207-143-115-151-152(216(252)244(215(151)251)136-75-67-132(68-76-136)200-183-107-99-175(231-183)195(127-57-33-11-34-58-127)167-91-83-159(223-167)188(120-43-19-4-20-44-120)160-84-92-168(224-160)196(128-59-35-12-36-60-128)176-100-108-184(200)232-176)116-144(143)208(236-207)240-206-142-114-150-148(112-140(142)204(235-206)238-202)212(248)243(214(150)250)135-73-65-131(66-74-135)199-181-105-97-173(229-181)193(125-53-29-9-30-54-125)165-89-81-157(221-165)187(119-41-17-3-18-42-119)158-82-90-166(222-158)194(126-55-31-10-32-56-126)174-98-106-182(199)230-174/h1-116,217,219,221,223,226,228,230,232H,(H2,233,234,235,236,237,238,239,240)/b185-153-,185-154-,186-155-,186-156-,187-157-,187-158-,188-159-,188-160-,189-161-,189-169-,190-162-,190-170-,191-163-,191-171-,192-164-,192-172-,193-165-,193-173-,194-166-,194-174-,195-167-,195-175-,196-168-,196-176-,197-177-,197-178-,198-179-,198-180-,199-181-,199-182-,200-183-,200-184- |
| InChIKey | BMDUKMWFKWNLTB-GBHWOGKPSA-N |
| XLogP | 48.62 |
| TPSA | 487.88 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 252 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3241.57 |
| LogP ≤ 5 | 48.62 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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