3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium

C23H22N7Os-3 — CID 58239329

IUPAC3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium
SMILESCN1C=CN(CN2C=CN(C)[CH-]2)[CH-]1.[Os].c1ccc2c(c1)c1cccnc1c1[n-]cnc21
InChIInChI=1S/C14H8N3.C9H14N4.Os/c1-2-5-10-9(4-1)11-6-3-7-15-12(11)14-13(10)16-8-17-14;1-10-3-5-12(7-10)9-13-6-4-11(2)8-13;/h1-8H;3-8H,9H2,1-2H3;/q-1;-2;
InChIKeyPFQCNYXWUOSQNV-UHFFFAOYSA-N
MW586.71 g/mol
LogP3.51
Rot. Bonds2

About 3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium

3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium (PubChem CID 58239329) has the molecular formula C23H22N7Os-3 and a molecular weight of 586.71 g/mol. Its IUPAC name is 3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium.

Molecular Properties

Compound Name3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium
PubChem CID58239329
Molecular FormulaC23H22N7Os-3
Molecular Weight586.71 g/mol
Exact Mass588.16
IUPAC Name3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium
SMILESCN1C=CN(CN2C=CN(C)[CH-]2)[CH-]1.[Os].c1ccc2c(c1)c1cccnc1c1[n-]cnc21
InChIInChI=1S/C14H8N3.C9H14N4.Os/c1-2-5-10-9(4-1)11-6-3-7-15-12(11)14-13(10)16-8-17-14;1-10-3-5-12(7-10)9-13-6-4-11(2)8-13;/h1-8H;3-8H,9H2,1-2H3;/q-1;-2;
InChIKeyPFQCNYXWUOSQNV-UHFFFAOYSA-N
XLogP3.51
TPSA52.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.71
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium 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

17-aza-3-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7,9,11,14,16-octaene;iridium
CID 58239345
iridium;3,4,8-triaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene
CID 58239349
4-oxa-8-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2,5,7(12),8,10,13,15-octaene
CID 58262111
iridium(3+);bis(phenanthro[9,10-b]pyrazine)
CID 160728362
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
ethane;6,9,15,17,22-pentazapentacyclo[12.8.0.02,7.08,13.016,21]docosa-1(22),2(7),3,5,8(13),9,11,14,16(21),17,19-undecaene
CID 145351041
CID 153299176
CID 153299176
24-methyl-19,24-diazahexacyclo[12.11.0.02,11.05,10.015,20.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,18,20,22-dodecaene
CID 140949511
bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide)
CID 176622038
CID 153299125
CID 153299125
8-chloro-5-fluoroquinoline
CID 53435993
naphtho[2,3-f][1,10]phenanthroline
CID 15381524

Frequently Asked Questions

What is the IUPAC name of 3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium?
The IUPAC name of 3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium (CID 58239329) is 3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium.
What is the SMILES notation for 3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium?
The canonical SMILES for 3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium is CN1C=CN(CN2C=CN(C)[CH-]2)[CH-]1.[Os].c1ccc2c(c1)c1cccnc1c1[n-]cnc21.
What is the InChIKey of 3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium?
The InChIKey is PFQCNYXWUOSQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N3.C9H14N4.Os/c1-2-5-10-9(4-1)11-6-3-7-15-12(11)14-13(10)16-8-17-14;1-10-3-5-12(7-10)9-13-6-4-11(2)8-13;/h1-8H;3-8H,9H2,1-2H3;/q-1;-2;.
What are the key properties of 3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium?
3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium has a molecular weight of 586.71 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diaza-5-azanidatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene;1-methyl-3-[(3-methyl-2H-imidazol-2-id-1-yl)methyl]-2H-imidazol-2-ide;osmium is sourced from PubChem (CID 58239329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).