1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene

C26H19N5O10 — CID 132566625

IUPAC1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene
SMILESCC12c3ccc([N+](=O)[O-])cc3C3(C)c4cc([N+](=O)[O-])c([N+](=O)[O-])cc4C(C)(c4cc([N+](=O)[O-])c([N+](=O)[O-])cc41)C23C
InChIInChI=1S/C26H19N5O10/c1-23-13-6-5-12(27(32)33)7-14(13)24(2)17-10-21(30(38)39)22(31(40)41)11-18(17)25(3,26(23,24)4)16-9-20(29(36)37)19(28(34)35)8-15(16)23/h5-11H,1-4H3
InChIKeyBLDCGBRZWWWGBZ-UHFFFAOYSA-N
MW561.46 g/mol
LogP5.49
Rot. Bonds5

About 1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene

1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene (PubChem CID 132566625) has the molecular formula C26H19N5O10 and a molecular weight of 561.46 g/mol. Its IUPAC name is 1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene.

Molecular Properties

Compound Name1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene
PubChem CID132566625
Molecular FormulaC26H19N5O10
Molecular Weight561.46 g/mol
Exact Mass561.11
IUPAC Name1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene
SMILESCC12c3ccc([N+](=O)[O-])cc3C3(C)c4cc([N+](=O)[O-])c([N+](=O)[O-])cc4C(C)(c4cc([N+](=O)[O-])c([N+](=O)[O-])cc41)C23C
InChIInChI=1S/C26H19N5O10/c1-23-13-6-5-12(27(32)33)7-14(13)24(2)17-10-21(30(38)39)22(31(40)41)11-18(17)25(3,26(23,24)4)16-9-20(29(36)37)19(28(34)35)8-15(16)23/h5-11H,1-4H3
InChIKeyBLDCGBRZWWWGBZ-UHFFFAOYSA-N
XLogP5.49
TPSA215.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.46
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene 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

8-bromo-1-methyl-4-nitrotricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 86182345
acetic acid;bis(2,4-dinitrophenol)
CID 88801874
2-methyl-5-nitro-1H-indene
CID 160884843
2,3,3-trimethyl-6-nitroindole
CID 20553389
1-(difluoromethyl)-2,4-dinitrobenzene
CID 154791323
copper;tetrakis(2,4-dinitrophenol);methanol
CID 11985774
3,3-dimethyl-5-nitro-1H-indol-2-one;ethane
CID 143412729
1-(2,4-dinitrophenyl)propan-1-one
CID 606980
3,3-dimethyl-6-nitro-2H-1,2-benzothiazole
CID 90885107
2,3,3-trimethyl-6-nitroisoindol-1-one
CID 58289918
1,8-diiodo-4-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaene
CID 15205272
1-methyl-2,4-dinitrobenzene;1,2-xylene
CID 88735463

Frequently Asked Questions

What is the IUPAC name of 1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene?
The IUPAC name of 1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene (CID 132566625) is 1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene.
What is the SMILES notation for 1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene?
The canonical SMILES for 1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene is CC12c3ccc([N+](=O)[O-])cc3C3(C)c4cc([N+](=O)[O-])c([N+](=O)[O-])cc4C(C)(c4cc([N+](=O)[O-])c([N+](=O)[O-])cc41)C23C.
What is the InChIKey of 1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene?
The InChIKey is BLDCGBRZWWWGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O10/c1-23-13-6-5-12(27(32)33)7-14(13)24(2)17-10-21(30(38)39)22(31(40)41)11-18(17)25(3,26(23,24)4)16-9-20(29(36)37)19(28(34)35)8-15(16)23/h5-11H,1-4H3.
What are the key properties of 1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene?
1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene has a molecular weight of 561.46 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,15,22-tetramethyl-4,5,11,12,18-pentanitrohexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16(21),17,19-nonaene is sourced from PubChem (CID 132566625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).