8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione

C22H17N3O2 — CID 177308192

IUPAC8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione
SMILESCc1cc(C)c2c(c1)c1ccccc1n1c(=O)n(-c3ccccc3)c(=O)n21
InChIInChI=1S/C22H17N3O2/c1-14-12-15(2)20-18(13-14)17-10-6-7-11-19(17)24-21(26)23(22(27)25(20)24)16-8-4-3-5-9-16/h3-13H,1-2H3
InChIKeyIDKGXIAEVFTPBW-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.47
Rot. Bonds1

About 8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione

8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione (PubChem CID 177308192) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione.

Molecular Properties

Compound Name8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione
PubChem CID177308192
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione
SMILESCc1cc(C)c2c(c1)c1ccccc1n1c(=O)n(-c3ccccc3)c(=O)n21
InChIInChI=1S/C22H17N3O2/c1-14-12-15(2)20-18(13-14)17-10-6-7-11-19(17)24-21(26)23(22(27)25(20)24)16-8-4-3-5-9-16/h3-13H,1-2H3
InChIKeyIDKGXIAEVFTPBW-UHFFFAOYSA-N
XLogP3.47
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione 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

9-Benzyl-2-(4-methylphenyl)-2,6-dihydro[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione
CID 135870317
2-(4-Methylphenyl)-9-(2-phenylethyl)-2,6-dihydro[1,2,4]-triazolo[4,3-c]-quinazoline-3,5-dione
CID 135870322
1-(9H-Acridine-10-carbonyl)-3-(2,6-diisopropyl-phenyl)-urea
CID 10365224
9,16-Difluoro-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),7(12),8,10,14,16-hexaene-3,5-dione
CID 177308182
4-Phenyl-10-(trifluoromethyl)-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione
CID 177308184
9-Fluoro-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione
CID 177308187
10-Fluoro-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7(12),8,10,13,15-hexaene-3,5-dione
CID 177308188
1,8-Dimethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101952498
1,8,17-Triphenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101952499
17-[2,6-Di(propan-2-yl)phenyl]-1,8-dimethyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 101952500
1,8-Diethyl-17-phenyl-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 139242465
(1S,10R)-15-methyl-11-phenyl-11,13,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6-triene-12,14,16-trione
CID 162397213

Frequently Asked Questions

What is the IUPAC name of 8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione?
The IUPAC name of 8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione (CID 177308192) is 8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione.
What is the SMILES notation for 8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione?
The canonical SMILES for 8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione is Cc1cc(C)c2c(c1)c1ccccc1n1c(=O)n(-c3ccccc3)c(=O)n21.
What is the InChIKey of 8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione?
The InChIKey is IDKGXIAEVFTPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-14-12-15(2)20-18(13-14)17-10-6-7-11-19(17)24-21(26)23(22(27)25(20)24)16-8-4-3-5-9-16/h3-13H,1-2H3.
What are the key properties of 8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione?
8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione has a molecular weight of 355.40 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dimethyl-4-phenyl-2,4,6-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),7,9,11,13,15-hexaene-3,5-dione is sourced from PubChem (CID 177308192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).