18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+))

C160H170Fe5N30O10+10 — CID 53469860

About 18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+))

18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+)) (PubChem CID 53469860) has the molecular formula C160H170Fe5N30O10+10 and a molecular weight of 2952.54 g/mol. Its IUPAC name is 18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+)).

Molecular Properties

• Compound Name: 18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+))
• PubChem CID: 53469860
• Molecular Formula: C160H170Fe5N30O10+10
• Molecular Weight: 2952.54 g/mol
• Exact Mass: 2951.04
• IUPAC Name: 18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+))
• SMILES: C1=NCCOCCOCC/N=C\c2ccc(cn2)CCc2ccc(nc2)-c2ccc(cn2)CCc2ccc(nc2)C=NCCOCCOCC/N=C\c2ccc(cn2)CCc2ccc(nc2)-c2ccc(cn2)CCc2ccc(nc2)C=NCCOCCOCC/N=C\c2ccc(cn2)CCc2ccc(nc2)-c2ccc(cn2)CCc2ccc(nc2)C=NCCOCCOCC/N=C\c2ccc(cn2)CCc2ccc(nc2)-c2ccc(cn2)CCc2ccc(nc2)C=NCCOCCOCC/N=C\c2ccc(cn2)CCc2ccc(nc2)-c2ccc(cn2)CCc2ccc1nc2.[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2]
• InChI: InChI=1S/C160H170N30O10.5Fe/c1-11-131-31-51-151(181-101-131)152-52-32-132(102-182-152)12-2-122-22-42-142(172-92-122)112-163-63-73-193-83-84-194-74-64-164-114-144-44-24-124(94-174-144)5-15-135-35-55-155(185-105-135)156-56-36-136(106-186-156)16-6-126-26-46-146(176-96-126)116-167-67-77-197-87-88-198-78-68-168-118-148-48-28-128(98-178-148)9-19-139-39-59-159(189-109-139)160-60-40-140(110-190-160)20-10-130-30-50-150(180-100-130)120-170-70-80-200-90-89-199-79-69-169-119-149-49-29-129(99-179-149)8-18-138-38-58-158(188-108-138)157-57-37-137(107-187-157)17-7-127-27-47-147(177-97-127)117-166-66-76-196-86-85-195-75-65-165-115-145-45-25-125(95-175-145)4-14-134-34-54-154(184-104-134)153-53-33-133(103-183-153)13-3-123-23-43-143(173-93-123)113-162-62-72-192-82-81-191-71-61-161-111-141-41-21-121(1)91-171-141;;;;;/h21-60,91-120H,1-20,61-90H2;;;;;/q;5*+2/b161-111-,162-113?,163-112?,164-114-,165-115-,166-117?,167-116?,168-118-,169-119-,170-120?
• InChIKey: SAXWRJNZTZOAOQ-PEWHYCFRSA-N
• XLogP: 21.93
• TPSA: 473.70 Ų
• H-Bond Acceptors: 40
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2952.54
LogP ≤ 5	21.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+))?

The IUPAC name of 18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+)) (CID 53469860) is 18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+)).

What is the SMILES notation for 18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+))?

The canonical SMILES for 18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+)) is C1=NCCOCCOCC/N=C\c2ccc(cn2)CCc2ccc(nc2)-c2ccc(cn2)CCc2ccc(nc2)C=NCCOCCOCC/N=C\c2ccc(cn2)CCc2ccc(nc2)-c2ccc(cn2)CCc2ccc(nc2)C=NCCOCCOCC/N=C\c2ccc(cn2)CCc2ccc(nc2)-c2ccc(cn2)CCc2ccc(nc2)C=NCCOCCOCC/N=C\c2ccc(cn2)CCc2ccc(nc2)-c2ccc(cn2)CCc2ccc(nc2)C=NCCOCCOCC/N=C\c2ccc(cn2)CCc2ccc(nc2)-c2ccc(cn2)CCc2ccc1nc2.[Fe+2].[Fe+2].[Fe+2].[Fe+2].[Fe+2].

What is the InChIKey of 18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+))?

The InChIKey is SAXWRJNZTZOAOQ-PEWHYCFRSA-N. The full InChI is InChI=1S/C160H170N30O10.5Fe/c1-11-131-31-51-151(181-101-131)152-52-32-132(102-182-152)12-2-122-22-42-142(172-92-122)112-163-63-73-193-83-84-194-74-64-164-114-144-44-24-124(94-174-144)5-15-135-35-55-155(185-105-135)156-56-36-136(106-186-156)16-6-126-26-46-146(176-96-126)116-167-67-77-197-87-88-198-78-68-168-118-148-48-28-128(98-178-148)9-19-139-39-59-159(189-109-139)160-60-40-140(110-190-160)20-10-130-30-50-150(180-100-130)120-170-70-80-200-90-89-199-79-69-169-119-149-49-29-129(99-179-149)8-18-138-38-58-158(188-108-138)157-57-37-137(107-187-157)17-7-127-27-47-147(177-97-127)117-166-66-76-196-86-85-195-75-65-165-115-145-45-25-125(95-175-145)4-14-134-34-54-154(184-104-134)153-53-33-133(103-183-153)13-3-123-23-43-143(173-93-123)113-162-62-72-192-82-81-191-71-61-161-111-141-41-21-121(1)91-171-141;;;;;/h21-60,91-120H,1-20,61-90H2;;;;;/q;5*+2/b161-111-,162-113?,163-112?,164-114-,165-115-,166-117?,167-116?,168-118-,169-119-,170-120?;;;;;.

What are the key properties of 18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+))?

18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+)) has a molecular weight of 2952.54 g/mol, XLogP of 21.93, 0 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 18a,21a,22,25,50a,53a,54,57,86,89-decaoxa-2a,5a,6,9,12a,15a,16,19,24a,28,31,38,41,47a,48,51,56a,60,62a,63,63a,66a,67a,70,70a,73,78a,79a,83,92-triacontazahenicosacyclo[156.2.2.24,7.28,11.214,17.230,33.236,39.240,43.246,49.262,65.268,71.272,75.278,81.294,97.2100,103.2104,107.2110,113.2126,129.2132,135.2136,139.2142,145]dicta-a(1a),b(99a),1(61a),2a(3a),4,4a(5a),6,6a(7a),8,10,10a(11a),12a(13a),14,14a(15a),16,18,24a(25a),26a(70a),27a(28a),28,29a(69a),30,32,32a(68a),33a(34a),35a(67a),36,36a(66a),37a(38a),38,39a(65a),40,42,42a(64a),43a(44a),45a(63a),46,46a(47a),48,50,56a(57a),58a(62a),59a(60a),60,62,64,68,70,71a(72a),72,73a(74a),74,75a(76a),77a(97),78(80a),78a(94),79,79a(81),81a(82a),82,83a(84a),85a(86a),87a(88a),89a(90a),91a(92a),92,93a(94a),95,95a(96a),97a(98a)-heptacontaene;pentakis(iron(2+)) is sourced from PubChem (CID 53469860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).