6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+))

C224H268N44O4Os2+10 — CID 140582331

IUPAC6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+))
SMILESCCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC)c1cc[n+](CCCCCC(=O)NCCCCCC[N+]2=CC=NC2c2cccc(C)n2)cc1)c1cc[n+](CCCCCC(=O)NCCCCCC[N+]2=CC=NC2c2cccc(C)n2)cc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1cc[n+](CCCCCC(=O)[O-])cc1.C[N+]1=CC=NC1c1[n-]cc[n+]1C.C[N+]1=CC=NC1c1[n-]cc[n+]1C.Cn1ccnc1C1=NCC=[N+]1C.Cn1ccnc1C1=NCC=[N+]1C.[Os+].[Os+]
InChIInChI=1S/C192H222N28O4.4C8H11N4.2Os/c1-5-26-167(165-70-119-217(120-71-165)114-21-13-16-33-190(223)224)126-169(147-34-76-193-77-35-147)128-171(149-38-80-195-81-39-149)130-173(151-42-84-197-85-43-151)132-175(153-46-88-199-89-47-153)134-177(155-50-92-201-93-51-155)136-179(157-54-96-203-97-55-157)138-181(159-58-100-205-101-59-159)140-183(161-62-104-207-105-63-161)142-185(163-66-108-209-109-67-163)143-184(162-64-106-208-107-65-162)141-182(160-60-102-206-103-61-160)139-180(158-56-98-204-99-57-158)137-178(156-52-94-202-95-53-156)135-176(154-48-90-200-91-49-154)133-174(152-44-86-198-87-45-152)131-172(150-40-82-196-83-41-150)129-170(148-36-78-194-79-37-148)127-168(166-72-121-218(122-73-166)113-20-12-15-32-189(222)211-75-18-8-10-23-116-220-124-111-213-192(220)187-30-25-28-145(4)215-187)125-146(6-2)164-68-117-216(118-69-164)112-19-11-14-31-188(221)210-74-17-7-9-22-115-219-123-110-212-191(219)186-29-24-27-144(3)214-186;4*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;/h24-25,27-30,34-73,76-111,117-124,146,167-185,191-192H,5-23,26,31-33,74-75,112-116,125-143H2,1-4H3;2*3,5-6H,4H2,1-2H3;2*3-7H,1-2H3;;/q+2;6*+1/p+2
InChIKeyAAKKVDMBSGHKOP-UHFFFAOYSA-P
MW4021.37 g/mol
LogP36.10
Rot. Bonds99

About 6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+))

6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+)) (PubChem CID 140582331) has the molecular formula C224H268N44O4Os2+10 and a molecular weight of 4021.37 g/mol. Its IUPAC name is 6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+)).

Molecular Properties

Compound Name6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+))
PubChem CID140582331
Molecular FormulaC224H268N44O4Os2+10
Molecular Weight4021.37 g/mol
Exact Mass4022.13
IUPAC Name6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+))
SMILESCCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC)c1cc[n+](CCCCCC(=O)NCCCCCC[N+]2=CC=NC2c2cccc(C)n2)cc1)c1cc[n+](CCCCCC(=O)NCCCCCC[N+]2=CC=NC2c2cccc(C)n2)cc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1cc[n+](CCCCCC(=O)[O-])cc1.C[N+]1=CC=NC1c1[n-]cc[n+]1C.C[N+]1=CC=NC1c1[n-]cc[n+]1C.Cn1ccnc1C1=NCC=[N+]1C.Cn1ccnc1C1=NCC=[N+]1C.[Os+].[Os+]
InChIInChI=1S/C192H222N28O4.4C8H11N4.2Os/c1-5-26-167(165-70-119-217(120-71-165)114-21-13-16-33-190(223)224)126-169(147-34-76-193-77-35-147)128-171(149-38-80-195-81-39-149)130-173(151-42-84-197-85-43-151)132-175(153-46-88-199-89-47-153)134-177(155-50-92-201-93-51-155)136-179(157-54-96-203-97-55-157)138-181(159-58-100-205-101-59-159)140-183(161-62-104-207-105-63-161)142-185(163-66-108-209-109-67-163)143-184(162-64-106-208-107-65-162)141-182(160-60-102-206-103-61-160)139-180(158-56-98-204-99-57-158)137-178(156-52-94-202-95-53-156)135-176(154-48-90-200-91-49-154)133-174(152-44-86-198-87-45-152)131-172(150-40-82-196-83-41-150)129-170(148-36-78-194-79-37-148)127-168(166-72-121-218(122-73-166)113-20-12-15-32-189(222)211-75-18-8-10-23-116-220-124-111-213-192(220)187-30-25-28-145(4)215-187)125-146(6-2)164-68-117-216(118-69-164)112-19-11-14-31-188(221)210-74-17-7-9-22-115-219-123-110-212-191(219)186-29-24-27-144(3)214-186;4*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;/h24-25,27-30,34-73,76-111,117-124,146,167-185,191-192H,5-23,26,31-33,74-75,112-116,125-143H2,1-4H3;2*3,5-6H,4H2,1-2H3;2*3-7H,1-2H3;;/q+2;6*+1/p+2
InChIKeyAAKKVDMBSGHKOP-UHFFFAOYSA-P
XLogP36.10
TPSA518.70 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds99
Heavy Atoms274
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004021.37
LogP ≤ 536.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[8-[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6-pyridin-4-yldecan-4-yl]pyridin-1-ium-1-yl]hexanoic acid
CID 140582330
N-[6-[2-(1,6-dimethylpyridin-1-ium-2-yl)-3-methyl-2H-imidazole-1,3-diium-1-yl]hexyl]-6-[4-[7-[1-(6-hydroperoxyhexyl)pyridin-1-ium-4-yl]-5-pyridin-4-yldecan-3-yl]pyridin-1-ium-1-yl]hexanamide
CID 167410091
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
chloroosmium;N-(3-imidazol-1-ylpropyl)-6-[4-(4-pyridin-4-ylhexan-2-yl)pyridin-1-ium-1-yl]hexanamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 21351305
4-[4-[4-[7-(1-methanidylpyridin-1-ium-4-yl)-5-pyridin-4-ylnonan-3-yl]pyridin-1-ium-1-yl]butyl]-2-pyridin-2-ylpyridine
CID 21351310
3-[4-(7-phenyl-5-pyridin-4-yloctan-3-yl)pyridin-1-ium-1-yl]propane-1-sulfonic acid
CID 20823483
sodium;4-butan-2-ylbenzenesulfonate;6-[4-(5-pyridin-4-ylhexan-3-yl)pyridin-1-ium-1-yl]hexanoic acid
CID 157302763
ethyl (2S)-6-(dodecanoylamino)-2-[11-(4-methylpyridin-1-ium-1-yl)undecanoylamino]hexanoate
CID 101228808
ethyl (2S)-6-(decanoylamino)-2-(11-pyridin-1-ium-1-ylundecanoylamino)hexanoate
CID 102223387
ethyl (2S)-6-(dodecanoylamino)-2-(8-pyridin-1-ium-1-yloctanoylamino)hexanoate
CID 101228816
3-[4-[7-[1-[2-(2-methoxyethoxy)ethyl]pyridin-1-ium-4-yl]-3,9-dipyridin-4-yldecan-5-yl]pyridin-1-ium-1-yl]propane-1-sulfonate chloride
CID 159166280
11-pyridin-1-ium-1-ylundecan-2-yl (2S)-6-(dodecanoylamino)-2-(hexanoylamino)hexanoate
CID 101258188

Frequently Asked Questions

What is the IUPAC name of 6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+))?
The IUPAC name of 6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+)) (CID 140582331) is 6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+)).
What is the SMILES notation for 6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+))?
The canonical SMILES for 6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+)) is CCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC)c1cc[n+](CCCCCC(=O)NCCCCCC[N+]2=CC=NC2c2cccc(C)n2)cc1)c1cc[n+](CCCCCC(=O)NCCCCCC[N+]2=CC=NC2c2cccc(C)n2)cc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1ccncc1)c1cc[n+](CCCCCC(=O)[O-])cc1.C[N+]1=CC=NC1c1[n-]cc[n+]1C.C[N+]1=CC=NC1c1[n-]cc[n+]1C.Cn1ccnc1C1=NCC=[N+]1C.Cn1ccnc1C1=NCC=[N+]1C.[Os+].[Os+].
What is the InChIKey of 6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+))?
The InChIKey is AAKKVDMBSGHKOP-UHFFFAOYSA-P. The full InChI is InChI=1S/C192H222N28O4.4C8H11N4.2Os/c1-5-26-167(165-70-119-217(120-71-165)114-21-13-16-33-190(223)224)126-169(147-34-76-193-77-35-147)128-171(149-38-80-195-81-39-149)130-173(151-42-84-197-85-43-151)132-175(153-46-88-199-89-47-153)134-177(155-50-92-201-93-51-155)136-179(157-54-96-203-97-55-157)138-181(159-58-100-205-101-59-159)140-183(161-62-104-207-105-63-161)142-185(163-66-108-209-109-67-163)143-184(162-64-106-208-107-65-162)141-182(160-60-102-206-103-61-160)139-180(158-56-98-204-99-57-158)137-178(156-52-94-202-95-53-156)135-176(154-48-90-200-91-49-154)133-174(152-44-86-198-87-45-152)131-172(150-40-82-196-83-41-150)129-170(148-36-78-194-79-37-148)127-168(166-72-121-218(122-73-166)113-20-12-15-32-189(222)211-75-18-8-10-23-116-220-124-111-213-192(220)187-30-25-28-145(4)215-187)125-146(6-2)164-68-117-216(118-69-164)112-19-11-14-31-188(221)210-74-17-7-9-22-115-219-123-110-212-191(219)186-29-24-27-144(3)214-186;4*1-11-5-3-9-7(11)8-10-4-6-12(8)2;;/h24-25,27-30,34-73,76-111,117-124,146,167-185,191-192H,5-23,26,31-33,74-75,112-116,125-143H2,1-4H3;2*3,5-6H,4H2,1-2H3;2*3-7H,1-2H3;;/q+2;6*+1/p+2.
What are the key properties of 6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+))?
6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+)) has a molecular weight of 4021.37 g/mol, XLogP of 36.10, 99 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[40,42-bis[1-[6-[6-[2-(6-methyl-2-pyridinyl)-2H-imidazol-1-ium-1-yl]hexylamino]-6-oxohexyl]pyridin-1-ium-4-yl]-6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38-heptadecapyridin-4-yltetratetracontan-4-yl]pyridin-1-ium-1-yl]hexanoate;bis(1-methyl-2-(1-methyl-4H-imidazol-1-ium-2-yl)imidazole);bis(1-methyl-2-(1-methyl-2H-imidazol-1-ium-2-yl)imidazol-1-ium-3-ide);bis(osmium(1+)) is sourced from PubChem (CID 140582331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).