6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+))

C228H257N38O2Os2+3 — CID 159882485

About 6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+))

6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+)) (PubChem CID 159882485) has the molecular formula C228H257N38O2Os2+3 and a molecular weight of 3942.29 g/mol. Its IUPAC name is 6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+)).

Molecular Properties

• Compound Name: 6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+))
• PubChem CID: 159882485
• Molecular Formula: C228H257N38O2Os2+3
• Molecular Weight: 3942.29 g/mol
• Exact Mass: 3943.04
• IUPAC Name: 6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+))
• SMILES: CCCCCC[n+]1ccc(C(C)CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC)c2cc[n+](CCCCCC(=O)NCCCCCCn3ccnc3-c3[c-]c(C)ccc3)cc2)c2cc[n+](CCCCCC(=O)NCCCCCCn3ccnc3-c3[c-]c(C)ccc3)cc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)cc1.Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1ccccn1.[Os+].[Os+]
• InChI: InChI=1S/C192H220N26O2.4C9H9N3.2Os/c1-6-8-9-20-111-214-116-67-149(68-117-214)147(5)126-171(150-33-75-193-76-34-150)128-173(151-35-77-194-78-36-151)130-175(153-39-81-196-82-40-153)132-177(155-43-85-198-86-44-155)134-179(157-47-89-200-90-48-157)136-181(159-51-93-202-94-52-159)138-183(161-55-97-204-98-56-161)140-185(163-59-101-206-102-60-163)142-187(165-63-105-208-106-64-165)144-188(166-65-107-209-108-66-166)143-186(164-61-103-207-104-62-164)141-184(162-57-99-205-100-58-162)139-182(160-53-95-203-96-54-160)137-180(158-49-91-201-92-50-158)135-178(156-45-87-199-88-46-156)133-176(154-41-83-197-84-42-154)131-174(152-37-79-195-80-38-152)129-172(168-71-120-216(121-72-168)113-22-15-17-32-190(220)211-74-19-11-13-24-115-218-123-110-213-192(218)170-30-26-28-146(4)125-170)127-148(7-2)167-69-118-215(119-70-167)112-21-14-16-31-189(219)210-73-18-10-12-23-114-217-122-109-212-191(217)169-29-25-27-145(3)124-169;4*1-12-7-6-11-9(12)8-4-2-3-5-10-8;;/h25-30,33-72,75-110,116-123,147-148,171-188H,6-24,31-32,73-74,111-115,126-144H2,1-5H3,(H-,210,211,219,220);4*2-7H,1H3;;/q;;;;;2*+1/p+1
• InChIKey: UJWKMSARKGKOGR-UHFFFAOYSA-O
• XLogP: 47.40
• TPSA: 447.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 96
• Heavy Atoms: 270
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3942.29
LogP ≤ 5	47.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+))?

The IUPAC name of 6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+)) (CID 159882485) is 6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+)).

What is the SMILES notation for 6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+))?

The canonical SMILES for 6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+)) is CCCCCC[n+]1ccc(C(C)CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC)c2cc[n+](CCCCCC(=O)NCCCCCCn3ccnc3-c3[c-]c(C)ccc3)cc2)c2cc[n+](CCCCCC(=O)NCCCCCCn3ccnc3-c3[c-]c(C)ccc3)cc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)c2ccncc2)cc1.Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1ccccn1.Cn1ccnc1-c1ccccn1.[Os+].[Os+].

What is the InChIKey of 6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+))?

The InChIKey is UJWKMSARKGKOGR-UHFFFAOYSA-O. The full InChI is InChI=1S/C192H220N26O2.4C9H9N3.2Os/c1-6-8-9-20-111-214-116-67-149(68-117-214)147(5)126-171(150-33-75-193-76-34-150)128-173(151-35-77-194-78-36-151)130-175(153-39-81-196-82-40-153)132-177(155-43-85-198-86-44-155)134-179(157-47-89-200-90-48-157)136-181(159-51-93-202-94-52-159)138-183(161-55-97-204-98-56-161)140-185(163-59-101-206-102-60-163)142-187(165-63-105-208-106-64-165)144-188(166-65-107-209-108-66-166)143-186(164-61-103-207-104-62-164)141-184(162-57-99-205-100-58-162)139-182(160-53-95-203-96-54-160)137-180(158-49-91-201-92-50-158)135-178(156-45-87-199-88-46-156)133-176(154-41-83-197-84-42-154)131-174(152-37-79-195-80-38-152)129-172(168-71-120-216(121-72-168)113-22-15-17-32-190(220)211-74-19-11-13-24-115-218-123-110-213-192(218)170-30-26-28-146(4)125-170)127-148(7-2)167-69-118-215(119-70-167)112-21-14-16-31-189(219)210-73-18-10-12-23-114-217-122-109-212-191(217)169-29-25-27-145(3)124-169;4*1-12-7-6-11-9(12)8-4-2-3-5-10-8;;/h25-30,33-72,75-110,116-123,147-148,171-188H,6-24,31-32,73-74,111-115,126-144H2,1-5H3,(H-,210,211,219,220);4*2-7H,1H3;;/q;;;;;2*+1/p+1.

What are the key properties of 6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+))?

6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+)) has a molecular weight of 3942.29 g/mol, XLogP of 47.40, 96 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[41-(1-hexylpyridin-1-ium-4-yl)-5-[1-[6-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-heptadecapyridin-4-yldotetracontan-3-yl]pyridin-1-ium-1-yl]-N-[6-[2-(3-methylbenzene-2-id-1-yl)imidazol-1-yl]hexyl]hexanamide;tetrakis(2-(1-methylimidazol-2-yl)pyridine);bis(osmium(1+)) is sourced from PubChem (CID 159882485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).