10-tert-butyl-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

C24H21N3O2 — CID 177308185

IUPAC10-tert-butyl-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
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n1c(=O)n(-c3ccccc3)c(=O)n21
InChIInChI=1S/C24H21N3O2/c1-24(2,3)16-13-14-21-19(15-16)18-11-7-8-12-20(18)26-22(28)25(23(29)27(21)26)17-9-5-4-6-10-17/h4-15H,1-3H3
InChIKeyPMZPNRGCMUIGRU-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.15
Rot. Bonds1

About 10-tert-butyl-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

10-tert-butyl-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 (PubChem CID 177308185) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 10-tert-butyl-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.

Molecular Properties

Compound Name10-tert-butyl-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
PubChem CID177308185
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name10-tert-butyl-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
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n1c(=O)n(-c3ccccc3)c(=O)n21
InChIInChI=1S/C24H21N3O2/c1-24(2,3)16-13-14-21-19(15-16)18-11-7-8-12-20(18)26-22(28)25(23(29)27(21)26)17-9-5-4-6-10-17/h4-15H,1-3H3
InChIKeyPMZPNRGCMUIGRU-UHFFFAOYSA-N
XLogP4.15
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-tert-butyl-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 with MolForge

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Related Compounds

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
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
5-methylspiro[12aH-indolo[1,2-c]quinazoline-12,1'-cyclohexane]-6-one
CID 164678059
(1S,2R,6S)-2,6,15-trimethyl-13,15-diazapentacyclo[11.8.0.01,6.07,12.016,21]henicosa-7,9,11,16,18,20-hexaen-14-one
CID 164678060
5'-Methyl-12'a-phenylspiro[cyclohexane-1,12'-indolo[1,2-c]quinazoline]-6'-one
CID 164685176
2-(4-Benzylphenyl)tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione
CID 186950
6H-Benz[5,10]anthra[1,9,8-cdef]benzo[h][1,2,4]triazolo[1,2-a]cinnoline-6,8(7H)-dione, 7-phenyl-
CID 631232

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-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?
The IUPAC name of 10-tert-butyl-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 177308185) is 10-tert-butyl-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.
What is the SMILES notation for 10-tert-butyl-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?
The canonical SMILES for 10-tert-butyl-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 is CC(C)(C)c1ccc2c(c1)c1ccccc1n1c(=O)n(-c3ccccc3)c(=O)n21.
What is the InChIKey of 10-tert-butyl-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?
The InChIKey is PMZPNRGCMUIGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-24(2,3)16-13-14-21-19(15-16)18-11-7-8-12-20(18)26-22(28)25(23(29)27(21)26)17-9-5-4-6-10-17/h4-15H,1-3H3.
What are the key properties of 10-tert-butyl-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?
10-tert-butyl-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 has a molecular weight of 383.45 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-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 is sourced from PubChem (CID 177308185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).