1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane)

C98H84N8Os2P3- — CID 159511671

IUPAC1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane)
SMILESCN1[CH-]N(c2[c-]c(N3[CH-]N(C)c4ccccc43)ccc2)c2ccccc21.C[n+]1cn(-c2cccc(-n3c[n+](C)c4ccccc43)c2)c2ccccc21.[Os].[Os].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N4.C22H19N4.3C18H15P.2Os/c2*1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3-16H,1-2H3;3-13,15-16H,1-2H3;3*1-15H;;/q+2;-3;;;;;
InChIKeyDRBMMGWDPZRYGX-UHFFFAOYSA-N
MW1847.19 g/mol
LogP18.45
Rot. Bonds13

About 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane)

1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane) (PubChem CID 159511671) has the molecular formula C98H84N8Os2P3- and a molecular weight of 1847.19 g/mol. Its IUPAC name is 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane).

Molecular Properties

Compound Name1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane)
PubChem CID159511671
Molecular FormulaC98H84N8Os2P3-
Molecular Weight1847.19 g/mol
Exact Mass1849.53
IUPAC Name1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane)
SMILESCN1[CH-]N(c2[c-]c(N3[CH-]N(C)c4ccccc43)ccc2)c2ccccc21.C[n+]1cn(-c2cccc(-n3c[n+](C)c4ccccc43)c2)c2ccccc21.[Os].[Os].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N4.C22H19N4.3C18H15P.2Os/c2*1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3-16H,1-2H3;3-13,15-16H,1-2H3;3*1-15H;;/q+2;-3;;;;;
InChIKeyDRBMMGWDPZRYGX-UHFFFAOYSA-N
XLogP18.45
TPSA30.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001847.19
LogP ≤ 518.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide
CID 58544736
carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium
CID 161458362
lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide
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1-tert-butyl-3-[3-(3-tert-butylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium
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7-[3-(benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole-3-carbonitrile;benzonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-8H-carbazol-8-ide-3-carbonitrile;9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-methylbenzimidazol-3-ium-1-yl)phenoxy]carbazole-3-carbonitrile;deuteriomethanone;dichloroplatinum;iodomethane;platinum;iodide
CID 160966014
1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+);cyanide
CID 177105718
1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium
CID 44605586
bis(1,2-dihydroimidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum
CID 172514234
5-isocyano-1-methyl-3-(3-methylphenyl)benzimidazol-1-ium
CID 153430471
1-[4-(benzenesulfonyl)phenyl]-3-methylbenzimidazol-3-ium tetrafluoroborate
CID 86643574
1-[2,4-difluoro-3-methyl-5-(3-methylbenzimidazol-3-ium-1-yl)phenyl]-3-methylbenzimidazol-3-ium
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4-(3-methylbenzimidazol-3-ium-1-yl)benzonitrile
CID 86626225

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane)?
The IUPAC name of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane) (CID 159511671) is 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane).
What is the SMILES notation for 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane)?
The canonical SMILES for 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane) is CN1[CH-]N(c2[c-]c(N3[CH-]N(C)c4ccccc43)ccc2)c2ccccc21.C[n+]1cn(-c2cccc(-n3c[n+](C)c4ccccc43)c2)c2ccccc21.[Os].[Os].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane)?
The InChIKey is DRBMMGWDPZRYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4.C22H19N4.3C18H15P.2Os/c2*1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3-16H,1-2H3;3-13,15-16H,1-2H3;3*1-15H;;/q+2;-3;;;;;.
What are the key properties of 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane)?
1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane) has a molecular weight of 1847.19 g/mol, XLogP of 18.45, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-[3-(3-methylbenzimidazol-3-ium-1-yl)phenyl]benzimidazol-1-ium;osmium;tris(triphenylphosphane) is sourced from PubChem (CID 159511671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).