(1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

C23H23N3O2 — CID 10833160

IUPAC(1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
SMILESC[C@H]1[C@H](C)[C@]2(c3ccccc3)C=C[C@@]1(c1ccccc1)n1c(=O)n(C)c(=O)n12
InChIInChI=1S/C23H23N3O2/c1-16-17(2)23(19-12-8-5-9-13-19)15-14-22(16,18-10-6-4-7-11-18)25-20(27)24(3)21(28)26(23)25/h4-17H,1-3H3/t16-,17-,22-,23+/m0/s1
InChIKeyFYACFCKZHCOHET-BSWISCRUSA-N
MW373.46 g/mol
LogP2.69
Rot. Bonds2

About (1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

(1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione (PubChem CID 10833160) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.

Molecular Properties

Compound Name(1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
PubChem CID10833160
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
SMILESC[C@H]1[C@H](C)[C@]2(c3ccccc3)C=C[C@@]1(c1ccccc1)n1c(=O)n(C)c(=O)n12
InChIInChI=1S/C23H23N3O2/c1-16-17(2)23(19-12-8-5-9-13-19)15-14-22(16,18-10-6-4-7-11-18)25-20(27)24(3)21(28)26(23)25/h4-17H,1-3H3/t16-,17-,22-,23+/m0/s1
InChIKeyFYACFCKZHCOHET-BSWISCRUSA-N
XLogP2.69
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-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

1H-Imidazo[4,5-E]1,2,4-triazine-3,6(2H,4H)-dione, tetrahydro-5,7-dimethyl-4a,7a-diphenyl-
CID 627793
5,8-Etheno-1H-cyclobuta(d)(1,2,4)triazolo(1,2-a)pyridazine-1,3(2H)-dione, 5,5a,7a,8-tetrahydro-2-methyl-6-phenyl-
CID 429409
11-Methyl-9,11,13-triazatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione
CID 13641377
(2S,15R)-25-methyl-23,25,27-triazaheptacyclo[14.6.5.02,15.03,8.09,14.017,22.023,27]heptacosa-3,5,7,9,11,13,17,19,21-nonaene-24,26-dione
CID 176434429
5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,6,7,8-tetrahydro-2-methyl-5,8-diphenyl-
CID 563506
1,2,4-Triazolidine-3,5-dione, 1-(1,4-diphenylcyclohexyl)-4-methyl-
CID 563525
2,4,6-Triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione, 4-methyl-1,7-diphenyl-
CID 616067
2,2,8,8,11-Pentamethyl-6,6-diphenyl-1,4,5,9,11-pentazatricyclo[7.3.0.03,7]dodeca-3(7),4-diene-10,12-dione
CID 13166423
2,2,6,6,9-Pentamethyl-4,4-diphenyl-1,7,9-triazatricyclo[5.3.0.03,5]dec-3(5)-ene-8,10-dione
CID 13166424
10,10,13,16,16-Pentamethyl-8-phenyl-11,13,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 13166425
2-benzyl-8-propan-2-ylspiro[7,8-dihydro-6H-[1,2,4]triazolo[1,2-a]pyridazine-5,4'-piperidine]-1,3-dione
CID 58935691
1,2-Dibenzyl-4-methyl-1,2,4-triazolidine-3,5-dione
CID 70937887

Frequently Asked Questions

What is the IUPAC name of (1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione?
The IUPAC name of (1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione (CID 10833160) is (1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione.
What is the SMILES notation for (1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione?
The canonical SMILES for (1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione is C[C@H]1[C@H](C)[C@]2(c3ccccc3)C=C[C@@]1(c1ccccc1)n1c(=O)n(C)c(=O)n12.
What is the InChIKey of (1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione?
The InChIKey is FYACFCKZHCOHET-BSWISCRUSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-17(2)23(19-12-8-5-9-13-19)15-14-22(16,18-10-6-4-7-11-18)25-20(27)24(3)21(28)26(23)25/h4-17H,1-3H3/t16-,17-,22-,23+/m0/s1.
What are the key properties of (1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione?
(1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione has a molecular weight of 373.46 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R,10S,11S)-4,10,11-trimethyl-1,7-diphenyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione is sourced from PubChem (CID 10833160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).